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namd-2.13

To enable PLUMED in a NAMD simulation one should add the following lines in the NAMD configuration file (often named as xxx.namd or xxx.conf) and run the plumed-patched version of NAMD with it:

plumed on
plumedfile plumed.dat

The first line tells NAMD to run with PLUMED and the second line specifies the PLUMED input file.

Bug
NAMD does not currently take into account virial contributions from PLUMED. Please use constant volume simulations only.

For more information on NAMD you should visit http://www.ks.uiuc.edu/Research/namd/