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Chemie in unserer Zeit 39 (2005)
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Chemie in unserer Zeit 39 (2005)
Chemie in unserer Zeit (2005)


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RPMDRUN


RPMDRUN is a Volume,Temperature (V,T)-Replica Exchange Molecular Dynamics (VTREMD) simulation program. It can be used to perform simulations of an arbitrarily shaped extended ensemble of states in the V,T-plane, such as:

RPMDRUN is based on the GROMACS 3.2.1 (not 3.3.X !) simulation package and is published under the conditions of the General Public license (GPL) .

Please note: I won't provide any support for these programs, nor answer any questions concerning them.

Dietmar Paschek 29th Sept. 2004

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