[gmx-users] RE: Monte Carlo in Gromacs for the Future
lindahl at sbc.su.se
Thu Aug 19 13:26:09 CEST 2004
> Is it possible to have a copy of what Dr. Erik Lindahl has already
> written. I'm not sure we will be able to finish anything interesting,
> but we can look at it. Is what Erik got meant to stand as a MC module
> by itself or can it already be hybridized with MD?
> Can you please be more specific about what you mean by integration
> algorithm? Do you mean the mc moves?
The non-force versions of the innerloops are already included in the
package, although we haven't added any calls for them yet. If I recall
correctly the names have the suffix "mc", for monte carlo.
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