[gmx-developers] time-dependent external restraints
fiorin at sissa.it
Tue Apr 1 16:58:11 CEST 2003
Hello, I need to use external harmonic restraints explicitly (I
mean: user defined) time-dependent, of the type used by Schulten and
coworkers in Science 296, 525-530 (2002). That is: harmonic wells
with moving centers.
Possibly it would be very useful to use such restraints on
many-atoms, "collective" coordinates.
I saw a reference on restraints time-dependance in the message:
Is anybody now working on that (either in the main developers
group or others)?
Thank you very much in advance.
PhD student @ SISSA - Scuola Internazionale Superiore di Studi Avanzati
via Beirut 4 - 34014 Trieste - Italy
mail: fiorin at sissa.it
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