[gmx-users] New force fields
David van der Spoel
spoel at xray.bmc.uu.se
Sat May 4 11:46:13 CEST 2002
On Fri, 3 May 2002, Ram'on Garc'ia Fern'andez wrote:
>I have just searched the source code, and sc_* are used only for free energy
>calculations. Do I have to enable free energy calculations to have soft core LJ?
I'm not sure, but maybe you do have to.
>On the other hand, I do not understand what do sc_alpha and sc_sigma mean.
That's explained in the manual, including graphs etc.
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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