Take a look at the other force field files in the same directory. What files are there (.rtp, .atp, .hdb, etc)? You are still missing a lot of files. Search the mailing list archive for charmm; I recall seeing a few posts regarding where to download the necessary components, but I have never used them so I can't help much more than that.
-Justin Quoting sarbani chattopadhyay <[EMAIL PROTECTED]>: > 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. > > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
