[gmx-users] ksc

David van der Spoel spoel at xray.bmc.uu.se
Tue Feb 24 16:44:01 CET 2004

>Dear Professor

>I would try to perform MD of the Kcsa ion channel. I will really
>if you can communicateme the parameters to use for potassium with >the
>gromacs forcefield

Both GROMOS96 and OPLS (present in GROMACS package) contain potassium
parameters. The ones in OPLS are by Aqvist et al.

Please put further gromacs questions to the gmx-users mailing list.

David van der Spoel, PhD, Assist. 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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