hi,
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
file.
the following 2 files were generated
ffcharmmbon.itp
ffcharmmnb.itp
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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