[gmx-users] pdb2gmx+ACE+NAC

Erik Lindahl lindahl at stanford.edu
Wed Jul 23 23:00:00 CEST 2003


ACE and NAC are already termini, so instead of having pdb2gmx add 
NH3/COO- termini you should choose interactive selection and then 
'none' both for the C and N terminus.



On Wednesday, July 23, 2003, at 01:48 PM, Milan Melichercik wrote:

> hi all,
> I have the protein, wthich begins with ACE and ends with NAC "aminoacid
> residue" and I'm trying to convert it into .gro by pdb2gmx. But pdb2gmx
> complains with this error message:
> "Fatal error: atom N not found in residue 1ACE while combining tdb and 
> rtp".
> What am I doing wrong?
> thx
> Milan
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list