On Fri, May 25, 2012 at 4:18 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote:
> On 25/05/2012 7:52 PM, Steven Neumann wrote: > >> Dear Gmx Users, >> >> My system is made of 3 proteins. As I want to use distance restraints >> dynamics between atoms belonging to each of them I have to produce topoloy >> with one moleculetype. I used pdb2gmx -chainsep interactive (I used merge: >> yes). >> >> Then when I process to grompp the error: "unknown cmap torsion between >> atoms ......." >> >> These atoms belong to the last residue of the chain A and to the first >> residue of Chain B. How to get rid of this? Please, help. >> > > What version is this? I seem to recall fixing this bug at some stage. > > Mark > Its 4.5.4 - but the atoms belonging to these residues of one chain are created on my own. I added them to residuetypes.dat and to my aminoacids.rtp. They are nonbonded group of residues forming a planar surface. When I remove their CMAP the same error occurs between next two proteins which are formed of existing bonded residues. Do you have an idea how to deal with this? Steven > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > Please don't post (un)subscribe requests to the list. Use the www > interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >
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