I will do what you suggest David. But, I have plenty of these lines, so I was avoiding that method. However, it seems the only solution right now.
Thanks Murat > Hi all, > > I have a small problem with pdb2gmx. I have a non-standard residue with rtp > parameters entered manually into oplsaa database. When I try to convert my pdb > file into gro, I get: > ------------------------------------- > Program pdb2gmx, VERSION 3.3.1 > Source code file: toputil.c, line: 94 > > Fatal error: > Increase MAXSLEN in src/kernel/grompp.h to at least 35, or shorten your > definition of bonds like 2.87441 0.58158 2.092 -5.54799 0 0 to at most 31 put a string there, say "my_rb_dih_1", and then add the real definition in the ffoplsaabon.itp file. > ------------------------------------- > Mentioned line is one of my RB dihedral parameters. > > I got the same problem with gromacs 3.2.1, but I dont know how I got rid of it. > I also could not find grompp.h in the mentioned location. > > I cannot truncate my parameters in order to fit for 31 character-space, so I am > clueless. > -- David. _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
