Dear All
I have a situation that, I work on Amber 9 (compiled on linux for parallel
computing on IBM p575). Regarding RNA molecule, I tried to use ff02 force
field and need to incorporate ion libraries "frcmod.ionsjc_tip3p". I am
unable to load new ion library. shown below is the xleap response "xleap -f
leaprc.rna.ff02" , also when I load parameters "frcmod.ff02pol.r1" it says
that backbone disabled? why would one like to do so. Kindly suggest
Welcome to LEaP!
(no leaprc in search path)
Sourcing: /usr/local/apps/amber9/dat/leap/cmd/leaprc.rna.ff02
Log file: ./leap.log
Loading parameters: /usr/local/apps/amber9/dat/leap/parm/parm99.dat
Reading title:
PARM99 for DNA,RNA,AA, organic molecules, TIP3P wat. Polariz.& LP
incl.02/04/99
Loading library: /usr/local/apps/amber9/dat/leap/lib/all_nucleic02.lib
Loading library: /usr/local/apps/amber9/dat/leap/lib/all_amino02.lib
Loading library: /usr/local/apps/amber9/dat/leap/lib/all_aminoct02.lib
Loading library: /usr/local/apps/amber9/dat/leap/lib/all_aminont02.lib
Loading library: /usr/local/apps/amber9/dat/leap/lib/ions94.lib
Loading library: /usr/local/apps/amber9/dat/leap/lib/solvents.lib
> loadamberparams frcmod.ff02pol.r1
Loading parameters: /usr/local/apps/amber9/dat/leap/parm/frcmod.ff02pol.r1
Reading force field modification type file (frcmod)
Reading title:
DISABLE BACKBONE AND NO-HYDROGEN
> loadamberparams frcmod.ionsjc_tip3p
Could not open file frcmod.ionsjc_tip3p: not found
Abhishek Singh
North Carolina State University
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Received on Wed Jul 02 2008 - 06:07:28 PDT
