[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.

Groeten, David.
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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