Amber Archive Jun 2008 by messages with attachments
502 messages
:
Starting
Wed Jun 04 2008 - 06:07:04 PDT,
Ending
Wed Jul 02 2008 - 06:07:29 PDT
This period
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AMBER: writing a script in amber
Taufik Al-Sarraj
(Mon Jun 02 2008 - 17:28:39 PDT)
taufik_alsarraj.vcf
(362 bytes)
Re: AMBER: drawing repeated units
Taufik Al-Sarraj
(Tue Jun 03 2008 - 15:25:59 PDT)
taufik_alsarraj.vcf
(362 bytes)
Re: AMBER: drawing repeated units
Taufik Al-Sarraj
(Tue Jun 03 2008 - 16:58:25 PDT)
taufik_alsarraj.vcf
(362 bytes)
Re: AMBER: drawing repeated units
Taufik Al-Sarraj
(Wed Jun 04 2008 - 13:17:57 PDT)
taufik_alsarraj.vcf
(362 bytes)
Re: AMBER: problems with sleap
Alan
(Wed Jun 04 2008 - 23:48:03 PDT)
AAA.pdb
(3501 bytes)
dmp.pdb
(6484 bytes)
AMBER: NAN errors in Etot, EPtot, EKtot and EELEC
Praveena Gopal
(Thu Jun 05 2008 - 05:04:00 PDT)
dt_0.002.out
(15808 bytes)
dt_0.001.out
(37886 bytes)
AMBER: Query on MM-PBSA
Neha Gandhi
(Thu Jun 05 2008 - 22:46:32 PDT)
snapshot_statistics_amber.out
(2125 bytes)
snapshot_statistics_delphi.out
(2125 bytes)
AMBER: NAN errors still exist
Praveena Gopal
(Fri Jun 06 2008 - 02:56:58 PDT)
dt_0.001.out
(36779 bytes)
dt_0.002.out
(8973 bytes)
dgbeq.out
(661579 bytes)
AMBER: VMD Movie .mdcrd file ptraj
Campbell, Patrick
(Fri Jun 06 2008 - 06:22:50 PDT)
extract_705.out
(2744 bytes)
Re: AMBER: PROBLEM: AmberTools Installation using Ubuntu
Jens Lattig
(Tue Jun 10 2008 - 01:00:08 PDT)
config.h
(2850 bytes)
Makefile_at
(1954 bytes)
AMBER: QM/MM
Taufik Al-Sarraj
(Wed Jun 11 2008 - 09:09:24 PDT)
taufik_alsarraj.vcf
(362 bytes)
Re: AMBER: QM/MM
Taufik Al-Sarraj
(Wed Jun 11 2008 - 09:28:34 PDT)
taufik_alsarraj.vcf
(362 bytes)
AMBER: Equilibration/Heating - Protein fixed -Problem
dpandit.brandeis.edu
(Wed Jun 11 2008 - 08:31:40 PDT)
eq_sol1_jun.out
(10623 bytes)
AMBER: Antechamber and topology file
TAEJIN KIM
(Wed Jun 11 2008 - 16:05:14 PDT)
ra.prmtop
(26384 bytes)
ra_anetchamber.prmtop
(23645 bytes)
AMBER: Coordinated Zinc
Khaled Barakat
(Wed Jun 11 2008 - 12:29:18 PDT)
out.pdb
(6056 bytes)
AMBER: improving GAFF sulfonamide parameters
Floris Buelens
(Tue Jun 17 2008 - 02:57:46 PDT)
slfam.prmtop
(9051 bytes)
slfam.restrt
(268 bytes)
AMBER: to understand GAFF: about A and B coefficients
Alan
(Tue Jun 17 2008 - 09:42:34 PDT)
benzene.top
(10733 bytes)
Re: AMBER: MM-PBSA
Miguel Ortiz-LombardÃa
(Wed Jun 18 2008 - 07:41:12 PDT)
multilink.py
(606 bytes)
AMBER: questions about gaff
yzhao
(Wed Jun 18 2008 - 19:01:45 PDT)
gaff_parameters_for_energy_calculation.txt
(2354 bytes)
Duplicate.txt
(9644 bytes)
AMBER: How to extract solvent box information from .rst or .mdcrd files?
Panwang Zhou
(Thu Jun 19 2008 - 07:13:18 PDT)
fox.gif
(9519 bytes)
Re: Re: AMBER: How to extract solvent box information from .rst or .mdcrd files?
Panwang Zhou
(Thu Jun 19 2008 - 08:34:02 PDT)
fox.gif
(9519 bytes)
Re: AMBER: [Fwd: failure to load box parameters]
Daniel Smith
(Mon Jun 23 2008 - 14:26:22 PDT)
leap.log
(13780 bytes)
AMBER: dihedral potential with odd periodicity
Germain Vallverdu
(Tue Jun 24 2008 - 07:43:26 PDT)
ethene.zip
(15744 bytes)
Re: AMBER: drawing repeated units
Taufik Al-Sarraj
(Tue Jun 24 2008 - 15:15:39 PDT)
taufik_alsarraj.vcf
(362 bytes)
AMBER: how to derive torsional angle parameters in gaff
Junmei Wang
(Tue Jun 24 2008 - 18:45:42 PDT)
c3ccc3.pdf
(23958 bytes)
Re: AMBER: Compilation of amber8 patched with ramd
Francesco Pietra
(Wed Jun 25 2008 - 01:17:59 PDT)
mdout.dif
(10584 bytes)
parallel_run.ramd_25jun.out
(898 bytes)
Re: AMBER: sleap - TER-card
In Hee Park
(Thu Jun 26 2008 - 17:31:40 PDT)
xxx.pdb
(16937 bytes)
xxx.prmtop
(53795 bytes)
xxx.inpcrd
(9309 bytes)
AMBER: MM-PBSA calculation problem
Wei Huang
(Mon Jun 30 2008 - 09:41:16 PDT)
8
(207029 bytes)
Last message date
:
Wed Jul 02 2008 - 06:07:29 PDT
Archived on
: Fri Oct 11 2024 - 05:53:36 PDT
502 messages
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