[gmx-users] ffoplsaa.atp

[David van der Spoel]

On Thu, 2003-04-03 at 09:07, Nguyen Hoang Phuong wrote:
> 
> Dear All,
> 
> I would like to change mass of H-atom of flexible SPC water using OPLS
> forcefield. I copy the file ffoplsaa.atp to the working directory and
> change mass there. Will GROMACS read this file? Thanks.
> 
you can change the mass in the flexpsc.itp file in your working
directory. That should suffice.
> Phuong
> 
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-- 
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
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