Dear Berk, I beg your pardon, but I have to assume that what you wrote below is not correct so, right?
Should it be 'ligand.rtp' instead of 'ligand.itp'? Once I have my hands on this new pdb2gmx, I believe I can tweak acpypi to generate rtp files as well (but hdb and else probably not). Cheers, Alan On Fri, Jan 29, 2010 at 11:00, <gmx-users-requ...@gromacs.org> wrote: > > of them. So you can just put, e.g., a file called ligand.itp in your > force > > field or current dir and pdb2gmx > > will read it. > -- Alan Wilter Sousa da Silva, D.Sc. PDBe group, PiMS project http://www.pims-lims.org/ EMBL - EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK +44 (0)1223 492 583 (office)
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