[gmx-users] pdb2gmx with new residues

David van der Spoel spoel at xray.bmc.uu.se
Fri Dec 6 13:01:50 CET 2002


On Fri, 2002-12-06 at 11:59, Ester Chiessi wrote:
> Dear Gromacs users,
> 
> Is there a way to use pdb2gmx with a user modified ffgmx.rtp file, without
> changing the original file in .../gromacs/share/top/ ?
> 
yes, put it in your working directory

> Thans in advance
> 
> Ester
> 
> 
> --
> Ester Chiessi
> Dipartimento di Scienze e Tecnologie Chimiche
> Universita' di Roma "Tor Vergata"
> Via della Ricerca Scientifica
> 00133 Roma (Italy)
> http://www.stc.uniroma2.it/cfmacro/cfmacroindex.htm
> e-mail: ester.chiessi at uniroma2.it
> Phone: 39*6*72594462
>        39*6*72594874
> Fax:39*6*72594328
> 
> 
> _______________________________________________
> 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.
> 
-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++



More information about the gromacs.org_gmx-users mailing list