[gmx-users] Protonation states for TYR,CYS,ARG

[David]

On Sat, 2004-07-10 at 15:54, Kamil Tamiola wrote:
> Dear Gromacs Community,
> 
> Is Gromacs able to recognize deprotonated TYR,CYS and ARG residues ...?
> 
no, you have to add a force field for these groups.
chapter 5 in the manual.
> KAMIL
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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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