[gmx-users] error running gromacs usinh charmm force field
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
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.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users