[gmx-users] error running gromacs usinh charmm force field

sarbani chattopadhyay sarbani_c84 at rediffmail.com
Thu Jan 17 12:59:09 CET 2008

     I am trying to run gromacs using charmm force field.
    I run the perl program convert_charmm_to_gromacs.pl on the charmm force field input 
the following 2 files were generated 
these were added to "/usr/local/gromacs/share/gromacs/top"  and GMXLIB path was set as
 "export GMXLIB=/usr/local/gromacs/share/gromacs/top"

the 'pdb2gmx' command was run using the command:
 "pdb2gmx -f 1aoc-PPF.pdb -ff charmm -ignh -ter"
but the following error message is coming
"Library file ffcharmm.rtp not found in current dir nor in your GMXLIB path."
Please help to solve this problem.

thanks in advance.

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