Amber Archive Nov 2008: by date

Saturday, 1 November 2008
- Re: AMBER: Optimal compiling of amber on XT3 Patrick McCarren
- AMBER: Question on AMBER MD Implications Campbell, Patrick
Monday, 3 November 2008
- AMBER: Minimisation and heating under GB conditions Francesco Pietra
- RE: AMBER: error message of xleap Catein Catherine
- Re: AMBER: Minimisation and heating under GB conditions Carlos Simmerling
- Re: AMBER: Minimisation and heating under GB conditions David A. Case
- Re: AMBER: Minimisation and heating under GB conditions Francesco Pietra
- Re: AMBER: Minimisation and heating under GB conditions Francesco Pietra
- Re: AMBER: Minimisation and heating under GB conditions Carlos Simmerling
- RE: AMBER: error message of xleap Ross Walker
- Re: AMBER: Minimisation and heating under GB conditions Francesco Pietra
- Re: AMBER: Minimisation and heating under GB conditions Carlos Simmerling
- AMBER: Problems compiling leap on Altix Cluster John Finke
- RE: AMBER: Problems compiling leap on Altix Cluster Ross Walker
- Re: AMBER: Problems compiling leap on Altix Cluster John Finke
- RE: AMBER: Problems compiling leap on Altix Cluster Ross Walker
- AMBER: Prem Prakash Pathak
- AMBER: process_mdout modify Naser Alijabbari
- Re: AMBER: Minimisation and heating under GB conditions Francesco Pietra
Tuesday, 4 November 2008
- Re: AMBER: MM_PBSA binding error Larry Layne
- AMBER: problem with group input and NMR restaints priya priya
- Re: AMBER: problem with group input and NMR restaints Carlos Simmerling
- RE: AMBER: process_mdout modify Ross Walker
- RE: AMBER: problem with group input and NMR restaints Ross Walker
- RE: AMBER: problem with group input and NMR restaints priya priya
- Re: AMBER: problem with group input and NMR restaints Carlos Simmerling
- Re: AMBER: problem with group input and NMR restaints priya priya
- Re: AMBER: problem with group input and NMR restaints Carlos Simmerling
- RE: AMBER: MM_PBSA binding error Ray Luo
Wednesday, 5 November 2008
- AMBER: temperature error in md calculation Catein Catherine
- Re: AMBER: temperature error in md calculation David A. Case
- AMBER: Steered MD and Jarzynski in pulling simulations Samuel Genheden
- Re: AMBER: Steered MD and Jarzynski in pulling simulations M. L. Dodson
- Re: AMBER: problem with group input and NMR restaints priya priya
- Re: AMBER: problem with group input and NMR restaints Carlos Simmerling
- AMBER: Br - ion defined ? Chih-Ying Lin
- Re: AMBER: problem with group input and NMR restaints priya priya
- Re: AMBER: problem with group input and NMR restaints Carlos Simmerling
- Re: AMBER: problem with group input and NMR restaints priya priya
- Re: AMBER: problem with group input and NMR restaints Carlos Simmerling
- Re: AMBER: ptraj and netcdf with AmberTools1.2 ? Dave Rogers
- AMBER: AMBER10: QMMM parallel test error Yang, Ping
- RE: AMBER: AMBER10: QMMM parallel test error Yang, Ping
- AMBER: Glycam Neha Gandhi
- RE: AMBER: AMBER10: QMMM parallel test error Ross Walker
Thursday, 6 November 2008
- AMBER: RE: Poly(A)-Poly(T) DNA Tutorial Query Ross Walker
- AMBER: Force field for Gd (gadolinium)? Lili Peng
- Re: AMBER: ptraj and netcdf with AmberTools1.2 ? David A. Case
- Re: AMBER: Glycam Lachele Foley (Lists)
- AMBER: gigabit ethernet cards and switches Alessandro Nascimento
- AMBER: ptraj new mask parser: differences from ambmask and core dumps M. L. Dodson
- AMBER: RE: Poly(A)-Poly(T) DNA Tutorial Query Ross Walker
- AMBER: RE: QUERRY? Ross Walker
- RE: AMBER: gigabit ethernet cards and switches Ross Walker
- AMBER: RE: Problem with the NEB tutorial Ross Walker
- Re: AMBER: gigabit ethernet cards and switches Alessandro Nascimento
- AMBER: RE: problems about TMD in your tutorial Ross Walker
- AMBER: coot mutation Taufik Al-Sarraj
- Re: AMBER: ptraj new mask parser: differences from ambmask and core dumps Jianyin Shao
- AMBER: Extracting periodic box size deviation CJ Dickson
- Re: AMBER: ptraj new mask parser: differences from ambmask and core dumps M. L. Dodson
- AMBER: using "EP" for dummy atom Ashish Sangwai
- Re: AMBER: Extracting periodic box size deviation Bill Ross
- RE: AMBER: using "EP" for dummy atom Ross Walker
- Re: AMBER: gigabit ethernet cards and switches Mengjuei Hsieh
Friday, 7 November 2008
- AMBER: AMBER : Inconsistent MD length and no of angles after ptraj parul sharma
- AMBER: Building O-Ac modified monosaccharides consistent with Glycam force field parameters Francois Theillet
- Re: AMBER: ptraj new mask parser: differences from ambmask and core dumps Jianyin Shao
- Re: AMBER: Building O-Ac modified monosaccharides consistent with Glycam force field parameters Lachele Foley (Lists)
- Re: AMBER: ptraj new mask parser: differences from ambmask and core dumps M. L. Dodson
- Re: AMBER: AMBER : Inconsistent MD length and no of angles after ptraj David A. Case
Saturday, 8 November 2008
- AMBER: AMBER question: perturbed charge twice the unperturbed Edward M
Sunday, 9 November 2008
- Re: AMBER: AMBER question: perturbed charge twice the unperturbed David A. Case
- Re: AMBER: problem with zMatrix in tleap David A. Case
- Re: AMBER: AMBER question: perturbed charge twice the unperturbed E.M.
- Re: AMBER: Steered MD and Jarzynski in pulling simulations Gustavo Seabra
- AMBER: looks like I have problem with "make clean" command drugdesign
Monday, 10 November 2008
- AMBER: RE: problems about TMD in your tutorial Ross Walker
- AMBER: ff02 in nmode gives error "too many dihedrals" ? Jacob Kongsted
- Re: AMBER: looks like I have problem with "make clean" command David A. Case
- AMBER: test sander error in amber7 Saiful Islam
- AMBER: mm_pbsa.pl and Amber10 Stephan.Reiling.sanofi-aventis.com
- AMBER: Amber 9 installation problems drugdesign
- Re: AMBER: Amber 9 installation problems Shozeb Haider
- Re: AMBER: mm_pbsa.pl and Amber10 Holger Gohlke
- Re: AMBER: Amber 9 installation problems David A. Case
- Re: AMBER: ptraj new mask parser: differences from ambmask and core dumps M. L. Dodson
- Re: AMBER: changing pdb structure Taufik Al-Sarraj
- Re: AMBER: changing pdb structure Carlos Simmerling
- AMBER: xLeap error Lili Peng
- Re: AMBER: changing pdb structure Taufik Al-Sarraj
- Re: AMBER: xLeap error Lili Peng
- Re: AMBER: xLeap error Mark Williamson
- Re: AMBER: test sander error in amber7 Saiful Islam
Tuesday, 11 November 2008
- Re: AMBER: changing pdb structure Carlos Simmerling
- Re: AMBER: test sander error in amber7 David A. Case
- Re: AMBER: Amber 9 installation problems drugdesign
- Re: AMBER: Amber 9 installation problems David A. Case
- Re: AMBER: Amber 9 installation problems drugdesign
Wednesday, 12 November 2008
- Re: AMBER: ff02 in nmode gives error "too many dihedrals" ? David A. Case
- RE: AMBER: Amber 9 installation problems Ross Walker
- AMBER: resp charges in parameterization Mark M Huntress
- Re: AMBER: resp charges in parameterization steinbrt.rci.rutgers.edu
- AMBER: Newbie question: partial minimization in implicit solvent Jochen Heil
- Re: AMBER: Amber 9 installation problems drugdesign
- AMBER: Problem with evaporating water over longer simulation times Sasha Buzko
- Re: AMBER: Problem with evaporating water over longer simulation times Gustavo Seabra
- Re: AMBER: Problem with evaporating water over longer simulation times steinbrt.rci.rutgers.edu
- Re: AMBER: Newbie question: partial minimization in implicit solvent Carlos Simmerling
- Re: AMBER: Problem with evaporating water over longer simulation times Sasha Buzko
- RE: AMBER: Newbie question: partial minimization in implicit solvent Ross Walker
- RE: AMBER: Amber 9 installation problems Ross Walker
- Re: AMBER: Problem with evaporating water over longer simulation times Sasha Buzko
- Re: AMBER: Problem with evaporating water over longer simulation times Adrian Roitberg
- AMBER: question about ptraj rai001.student.ucr.edu
- AMBER: PB Radii Swarup Gupta
Thursday, 13 November 2008
- AMBER: load opls force field oguz gurbulak
- Re: AMBER: PB Radii David A. Case
- Re: AMBER: load opls force field David A. Case
- AMBER: Your "bellymask-patch" Jochen Heil
- AMBER: Chloride anion ligands leave the protein during MD Francesco Pietra
- AMBER: MM-PBSA and trajectory input Arturas Ziemys
- RE: AMBER: Your "bellymask-patch" Ross Walker
- AMBER: Restraints Joseph Nachman
- Re: AMBER: Restraints Ashish Sangwai
- RE: AMBER: Restraints Ross Walker
- Re: AMBER: Amber 9 installation problems drugdesign
- Re: AMBER: load opls force field Bill Ross
- Re: AMBER: AMBER question: perturbed charge twice the unperturbed David A. Case
- Re: AMBER: question about ptraj Jianyin Shao
- Re: AMBER: question about ptraj rai001.student.ucr.edu
Friday, 14 November 2008
- AMBER: segmentation fault when restarting periodic structure Diddo Diddens
- Re: AMBER: Chloride anion ligands leave the protein during MD Gustavo Seabra
- Re: AMBER: Chloride anion ligands leave the protein during MD Adrian Roitberg
- AMBER: how to remove counter ions ( K+ / Cl- ions) using rdparm? Siddharth Rastogi
- Re: AMBER: Chloride anion ligands leave the protein during MD Jiri Sponer
- AMBER: subroutine for torsional potential CHAMI F.
- Re: AMBER: subroutine for torsional potential steinbrt.rci.rutgers.edu
- AMBER: NMR optimization with group averages (IGR1 / IGR2) Ryan Pavlovicz
- AMBER: Sander *.top and *.crd file from PDB file Chin, Keith B
- Re: AMBER: Sander *.top and *.crd file from PDB file Gustavo Seabra
- RE: AMBER: Sander *.top and *.crd file from PDB file Chin, Keith B
- Re: AMBER: Sander *.top and *.crd file from PDB file Carlos Simmerling
- AMBER: Ptraj Normal Mode Analysis Jesse Jun
- AMBER: organic solvents Marcelo Puiatti
- Re: AMBER: organic solvents Mark Williamson
- Re: AMBER: organic solvents FyD
Saturday, 15 November 2008
- AMBER: Trajectory file ended and unit 24 error on open inptraj Siddharth Rastogi
- Re: AMBER: Trajectory file ended and unit 24 error on open inptraj Carlos Simmerling
- Re: AMBER: PB Radii Swarup Gupta
- Re: AMBER: Trajectory file ended and unit 24 error on open inptraj Siddharth Rastogi
Sunday, 16 November 2008
- Re: AMBER: Chloride anion ligands leave the protein during MD Francesco Pietra
- Re: AMBER: Trajectory file ended and unit 24 error on open inptraj Carlos Simmerling
- Re: AMBER: Trajectory file ended and unit 24 error on open inptraj Gustavo Seabra
- AMBER: How to create *.top & *.crd file with hexagonal lattice Chin, Keith B
- AMBER: problem Arturas Ziemys
- Re: AMBER: problem FyD
Monday, 17 November 2008
- AMBER: High ESURF Siddharth Rastogi
- Re: AMBER: High ESURF Andreas Svrcek-Seiler
- Re: AMBER: PB Radii Swarup Gupta
- Re: AMBER: PB Radii Carlos Simmerling
- AMBER: velocity units? Jose Borreguero
- AMBER: ptraj closest command steinbrt.rci.rutgers.edu
- Re: AMBER: ptraj closest command Gustavo Seabra
- Re: AMBER: velocity units? David A. Case
- AMBER: RESTRAINTS: no valid redirection found Francesco Pietra
- Fwd: AMBER: RESTRAINTS: no valid redirection found Francesco Pietra
- Re: AMBER: RESTRAINTS: no valid redirection found Robert Duke
- Re: AMBER: RESTRAINTS: no valid redirection found Francesco Pietra
- Re: AMBER: RESTRAINTS: no valid redirection found Francesco Pietra
- Re: AMBER: RESTRAINTS: no valid redirection found Robert Duke
- Re: AMBER: RESTRAINTS: no valid redirection found Francesco Pietra
- AMBER: AMBER10 installation question Jeffrey
- AMBER: SPCFW temperature oscillations Naser Alijabbari
- RE: AMBER: problem Arturas Ziemys
Tuesday, 18 November 2008
- Re: AMBER: AMBER10 installation question David A. Case
- Re: AMBER: SPCFW temperature oscillations David A. Case
- Re: AMBER: problem David A. Case
- Re: AMBER: SPCFW temperature oscillations Robert Duke
- Re: AMBER: How to create *.top & *.crd file with hexagonal lattice David A. Case
- Re: AMBER: segmentation fault when restarting periodic structure David A. Case
- Re: AMBER: problem Arturas Ziemys
- AMBER: Equilibration protocol for large protein Dmitri Nilov
- AMBER: Duplicate entries with different parameters in gaff.dat from AmberTools 1.2 (resend) John Chodera
- AMBER: AMBER10 compiling SANDER parallel problem Hazard, E. Starr
- Re: AMBER: AMBER10 compiling SANDER parallel problem David A. Case
- AMBER: Chin, Keith B
- AMBER: PMEMD with AMOEBA parms including a lone pair site Margaret Johnson
- Re: AMBER: PMEMD with AMOEBA parms including a lone pair site Robert Duke
Wednesday, 19 November 2008
- Re: Re: AMBER: AMBER10 installation question Jeffrey
- AMBER: question - gaff and leaprc.ff03ua oguz gurbulak
- AMBER: MOLYBDENUM Joachim Reichelt
- Re: AMBER: Duplicate entries with different parameters in gaff.dat from AmberTools 1.2 (resend) David A. Case
- AMBER: problem with cartesian restraints with NTP simulations Barbault Florent
- Re: AMBER: problem with cartesian restraints with NTP simulations David A. Case
- Re: AMBER: question - gaff and leaprc.ff03ua David A. Case
- AMBER: Amber on linux Marudachalam S
- Re: AMBER: Amber on linux steinbrt.rci.rutgers.edu
- AMBER: How to manually adjust periodic boundary conditions (PBC) Chin, Keith B
- Re: AMBER: How to manually adjust periodic boundary conditions (PBC) David A. Case
- RE: AMBER: How to manually adjust periodic boundary conditions (PBC) Chin, Keith B
Thursday, 20 November 2008
- AMBER: compiling ambertools with intel compilers Alan
- Re: AMBER: Duplicate entries with different parameters in gaff.dat from AmberTools 1.2 (resend) Alan
- Re: AMBER: compiling ambertools with intel compilers David A. Case
- Re: AMBER: compiling ambertools with intel compilers Alan
- Re: AMBER: Duplicate entries with different parameters in gaff.dat from AmberTools 1.2 (resend) Alan
- Re: AMBER: Duplicate entries with different parameters in gaff.dat from AmberTools 1.2 (resend) David A. Case
- Re: AMBER: Duplicate entries with different parameters in gaff.dat from AmberTools 1.2 (resend) David A. Case
- AMBER: AMBER forfield choose Wang,Ying
- Re: AMBER: AMBER forfield choose Barbault Florent
- Re: AMBER: AMBER forfield choose Wang,Ying
- Re: AMBER: AMBER forfield choose mori.cerm.unifi.it
- Re: AMBER: AMBER forfield choose Wang,Ying
- AMBER: CG and HC atoms partial charges in AMBER Stephane Abel
- Re: AMBER: AMBER forfield choose Carlos Simmerling
- Re: AMBER: CG and HC atoms partial charges in AMBER David A. Case
- Re: AMBER: AMBER forfield choose Barbault Florent
- Re: AMBER: AMBER forfield choose Carlos Simmerling
- RE: AMBER: CG and HC atoms partial charges in AMBER Matthew Tessier
- AMBER: pmemd Jeremy Harris
- Re: AMBER: CG and HC atoms partial charges in AMBER Stephane Abel
- RE: AMBER: pmemd Ross Walker
- Re: AMBER: compiling ambertools with intel compilers Francesco Pietra
- Re: AMBER: pmemd Robert Duke
- RE: AMBER: CG and HC atoms partial charges in AMBER Matthew Tessier
- Re: AMBER: CG and HC atoms partial charges in AMBER Stephane Abel
- RE: AMBER: CG and HC atoms partial charges in AMBER Matthew Tessier
- Re: AMBER: CG and HC atoms partial charges in AMBER Stephane Abel
- Re: AMBER: compiling ambertools with intel compilers Francesco Pietra
- Re: AMBER: compiling ambertools with intel compilers David A. Case
- Re: AMBER: How to manually adjust periodic boundary conditions (PBC) David A. Case
- Re: AMBER: compiling ambertools with intel compilers Thomas Patko
- Re: AMBER: Force field for Gd3+ (metal ion)? Lili Peng
Friday, 21 November 2008
- AMBER: Problems for use manganese molecules vallespardojl.chem.leidenuniv.nl
- Re: AMBER: Problems for use manganese molecules David A. Case
- AMBER: ptraj center problem robaldo.dna.uba.ar
- Re: AMBER: compiling ambertools with intel compilers David A. Case
- Re: AMBER: ptraj center problem Carlos Simmerling
- AMBER: Electrostatic Energy Components guardiani.fi.infn.it
- Re: AMBER: ptraj center problem robaldo.dna.uba.ar
- RE: AMBER: Electrostatic Energy Components Ross Walker
- AMBER: RE: About restart amber Ross Walker
- RE: AMBER: Electrostatic Energy Components Ilyas Yildirim
- RE: AMBER: Electrostatic Energy Components Ross Walker
- Re: AMBER: Electrostatic Energy Components Carlos Simmerling
- RE: AMBER: Electrostatic Energy Components Ilyas Yildirim
- RE: AMBER: Electrostatic Energy Components Ross Walker
- AMBER: compiling amber 10 Andrei Neamtu
Saturday, 22 November 2008
- AMBER: QM/MM simulation Syed Tarique Moin
Friday, 21 November 2008
- Re: AMBER: Electrostatic Energy Components Jojart Balazs
Saturday, 22 November 2008
- Re: AMBER: QM/MM simulation David A. Case
- Re: AMBER: QM/MM simulation Syed Tarique Moin
- Re: AMBER: RE: About restart amber Francesco Pietra
- RE: AMBER: QM/MM simulation Ross Walker
- RE: AMBER: RE: About restart amber Ross Walker
- RE: AMBER: Electrostatic Energy Components Ross Walker
- Re: AMBER: Electrostatic Energy Components Carlos Simmerling
- Re: AMBER: Electrostatic Energy Components Carlos Simmerling
- Re: AMBER: QM/MM simulation Gustavo Seabra
- Re: AMBER: compiling amber 10 David A. Case
- Re: AMBER: Electrostatic Energy Components David A. Case
- AMBER: AMBER10 failing to compile PMEMD Hazard, E. Starr
- Re: AMBER: AMBER10 failing to compile PMEMD Robert Duke
Sunday, 23 November 2008
- Re: AMBER: Electrostatic Energy Components Jojart Balazs
- AMBER: AdoMet parameterization with antechamber Jeffrey
- Re: AMBER: question - gaff and leaprc.ff03ua oguz gurbulak
- Re: AMBER: AdoMet parameterization with antechamber David A. Case
- Re: AMBER: question - gaff and leaprc.ff03ua David A. Case
- Re: AMBER: Electrostatic Energy Components Junmei Wang
- AMBER: Running Amber8 - Sander tri nam Vo
Monday, 24 November 2008
- AMBER: GB versus explicit medium Francesco Pietra
- Re: AMBER: AdoMet parameterization with antechamber Alan
- Re: AMBER: GB versus explicit medium Carlos Simmerling
- Re: AMBER: Electrostatic Energy Components David A. Case
- Re: AMBER: Electrostatic Energy Components Balazs JOJART
- Re: AMBER: GB versus explicit medium Francesco Pietra
- Re: AMBER: GB versus explicit medium M. L. Dodson
- Re: Re: AMBER: AdoMet parameterization with antechamber Jeffrey
- AMBER: nonbonded parameters for titanium saurabh agrawal
- Re: Re: AMBER: AdoMet parameterization with antechamber Wei Huang
- Re: Re: AMBER: AdoMet parameterization with antechamber David A. Case
- AMBER: Ewald troubles when running very big boxes steinbrt.rci.rutgers.edu
- Re: AMBER: RE: About restart amber Francesco Pietra
- RE: AMBER: Fully QM periodic runs hfox1.nd.edu
- Re: AMBER: changing pdb structure Taufik Al-Sarraj
- Re: AMBER: Ewald troubles when running very big boxes Robert Duke
- AMBER: unsubscribe amber Su Nwe
Tuesday, 25 November 2008
- Re: AMBER: RE: About restart amber Francesco Pietra
- Re: AMBER: Fully QM periodic runs David A. Case
- AMBER: Gradual releasing of position restraints Dmitri Nilov
- Re: AMBER: RE: About restart amber Robert Duke
- AMBER: molsurf fails Arturas Ziemys
- AMBER: using packmol file in Amber oguz gurbulak
- Re: Re: Re: AMBER: AdoMet parameterization with antechamber Jeffrey
- RE: AMBER: Gradual releasing of position restraints Ross Walker
- RE: AMBER: Fully QM periodic runs Ross Walker
- Re: AMBER: molsurf fails David A. Case
- Re: AMBER: using packmol file in Amber David A. Case
- Re: AMBER: RE: About restart amber Francesco Pietra
- Re: AMBER: RE: About restart amber Robert Duke
- Re: AMBER: RE: About restart amber Francesco Pietra
- Re: AMBER: RE: About restart amber Robert Duke
Wednesday, 26 November 2008
- AMBER: Test failure with Amber 10 Kevin Parkes
- AMBER: About antechamber and GAFF Stephane Abel
- AMBER: About antechamber and GAFF [UPDATED] Stephane Abel
- AMBER: subroutine Work : Jarynski work theorem CHAMI F.
- Re: AMBER: Test failure with Amber 10 David A. Case
- Re: AMBER: About antechamber and GAFF [UPDATED] Navnit Kumar Mishra
- RE: AMBER: Test failure with Amber 10 Kevin Parkes
- Re: Re: Re: Re: AMBER: AdoMet parameterization with antechamber Jeffrey
- AMBER: Choline chloride salt CHAMI F.
- AMBER: Referencing AMBER Joseph Nachman
- Re: AMBER: Referencing AMBER David A. Case
- RE: AMBER: Test failure with Amber 10 Ross Walker
- RE: AMBER: About antechamber and GAFF [UPDATED] Ross Walker
- Re: AMBER: Gradual releasing of position restraints David A. Case
- Re: AMBER: About antechamber and GAFF [UPDATED] Wenyong Tong
- Re: AMBER: Test failure with Amber 10 Robert Duke
- RE: Re: Re: Re: AMBER: AdoMet parameterization with antechamber Ross Walker
- AMBER: Problem running NEB in AMBER10 Chris C.
- RE: AMBER: Problem running NEB in AMBER10 Ross Walker
- AMBER: problem with AMOEBA j00323240.students.jsums.edu
- AMBER: Question fot Amber 10 Benchmarks sychen
Thursday, 27 November 2008
- AMBER: Problems of MM/MM-GBSA calculations Sergey Samsonov
- AMBER: antechamber and gaff for a homodimer rebeca
- Re: AMBER: About antechamber and GAFF [UPDATED] Stephane Abel
- Re: AMBER: antechamber and gaff for a homodimer Alan
- AMBER: seeking help regrading Zinc protein GBSA minimization S.Sundar Raman
- Re: AMBER: antechamber and gaff for a homodimer rebeca
- Re: AMBER: Question fot Amber 10 Benchmarks Robert Duke
- AMBER: Is there an easy way to calculate the electric field at the center of a group of atoms Ye Mei
- AMBER: cis - trans isomerization Nina Fischer
- Re: RE: Re: Re: Re: AMBER: AdoMet parameterization with antechamber Jeffrey
- Re: AMBER: antechamber and gaff for a homodimer FyD
- RE: AMBER: Question fot Amber 10 Benchmarks Ross Walker
- AMBER: Heating up Francesco Pietra
- AMBER: normal-vector of a plane with 'corrplane' Gert Kiss
- AMBER: Who success in setting up a covalent bond between ligand and enzyme with tLeap ? jitrayut jitonnom
- Re[2]: AMBER: Question fot Amber 10 Benchmarks sychen
- Re: AMBER: Who success in setting up a covalent bond between ligand and enzyme with tLeap ? Guillermo Mulliert Carlín
Friday, 28 November 2008
- Re: AMBER: Setting GROUP for pmemd Francesco Pietra
- Re: AMBER: Heating up Carlos Simmerling
- Re: AMBER: seeking help regrading Zinc protein GBSA minimization Carlos Simmerling
- AMBER: N(CN2)- ion babak minoofar
- Re: AMBER: Heating up Francesco Pietra
- AMBER: Questions on TIP4P model? Chin, Keith B
- Re: AMBER: Questions on TIP4P model? Carlos Simmerling
- Re: AMBER: Who success in setting up a covalent bond between ligand and enzyme with tLeap ? jitrayut jitonnom
- RE: AMBER: Who success in setting up a covalent bond between ligand and enzyme with tLeap ? Ross Walker
- Re: AMBER: Who success in setting up a covalent bond between ligand and enzyme with tLeap ? FyD
Saturday, 29 November 2008
- AMBER: RED vIII-lack of charges in mol2 Neha Gandhi
- Re: AMBER: RED vIII-lack of charges in mol2 FyD
- Re: AMBER: Questions on TIP4P model? David A. Case
- RE: AMBER: Questions on TIP4P model? Chin, Keith B

Last message date: Fri Dec 05 2008 - 18:12:45 PST
Archived on: Mon Nov 03 2025 - 05:53:46 PST

Amber Archive Nov 2008 by date