On Thu, May 24, 2012 at 10:04 PM, Francesca <[email protected]>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 [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
-- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
