Yes, it works (-chainsep interactive: merge = yes ) but when you process to grompp there is an error:
Unknown cmap torsion between atoms 6002 6004 6006 6017 6021 pdb2gmx takes the cmap for the atoms e.g. last two residues of chain A with first three residues of chain B. Removing these lines does not solve the problem. Any suggestions appreciated! On Fri, May 25, 2012 at 9:57 AM, Steven Neumann <s.neuman...@gmail.com>wrote: > > > On Thu, May 24, 2012 at 10:04 PM, Francesca > <francesca.stanzi...@unina.it>wrote: > >> I checked and the resul is the same...but now I know I can use -chainsep >> interactive! >> >> > Yes, it works (-chainsep interactive: merge = no ) but when you process to > grompp there is an error: > > Unknown cmap torsion between atoms 6002 6004 6006 6017 6021 > > pdb2gmx takes the cmap for the atoms e.g. last two residues of chain A > with first three residues of chain B. Does removing this lines will be > reasonable or some torsions wont be taken into account? > > Steven > > >> >> -- >> View this message in context: >> http://gromacs.5086.n6.nabble.com/One-molculetype-for-3-proteins-tp4997727p4997739.html >> Sent from the GROMACS Users Forum mailing list archive at Nabble.com. >> -- >> gmx-users mailing list gmx-users@gromacs.org >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at >> 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 >> > >
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at 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
