[gmx-users] g_sas w/ OPLS-AA

[David]

On Fri, 2003-04-04 at 18:55, Attila Borics wrote:
> Hi!
> 
> Is there any smart way to compute solvent accessible surface, when
> OPLS-AA force field was applied? dgsolv.dat contains parameters for
> united atoms only.

The free energy is not to be trusted anyway. 

I suggest you select protein-H for the SAS calculation
> Thank you
> 
> Attila
> -- 
> Attila Borics <aborics at bif12.creighton.edu>
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular 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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