[gmx-users] how to add topology for a new residue

[David van der Spoel]

On Fri, 2003-04-25 at 23:30, Mr.Sridhar wrote:
> 
> I have a problem in running MD of a protein which has
> PHORBOL-13-ACETATE as a bound ligand. I got a gromacs topology file from
> PRODRG server. But I don't know how to include this topology file in Gromacs
> and run MD.
> I've added the line #include "PRB.itp"
> in the main gromacs forcefield file "ffgmx.itp" but it is not working.
> 
> I'll be happy if anybody can find the procedure for this.
> 
have to put it in topol.top
chapter 5 in the manual
> Thanks.
> 
> sridhar.
> 
> _______________________________________________
> 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, 	Dept. of Cell & Mol. Biology
Husargatan 3, Box 596,  	75124 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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++