[gmx-users] potassium ion incorporation in GROMOS53a6 forcefield
Erik Marklund
erikm at xray.bmc.uu.se
Mon Nov 22 09:38:19 CET 2010
Jignesh Patel skrev 2010-11-22 08.57:
> Dear all,
>
> Can anybody tell me how to incorporate potassium ion parameters in
> GROMACS for GROMOS53a6 forcefield.
>
> Thanking you in anticipation.
>
> With regards,
> Jignesh
>
>
If you have decent parameters, add them to ions.itp
--
-----------------------------------------------
Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: +46 18 471 4537 fax: +46 18 511 755
erikm at xray.bmc.uu.se http://folding.bmc.uu.se/
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