[gmx-users] Re: One molculetype for 3 proteins

Steven Neumann s.neumann08 at gmail.com
Fri May 25 10:57:43 CEST 2012

On Thu, May 24, 2012 at 10:04 PM, Francesca <francesca.stanzione at 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?


> --
> 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 at 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120525/f4709ae9/attachment.html>

More information about the gromacs.org_gmx-users mailing list