[gmx-users] Plumed

Alexander Alexander alexanderwien2k at gmail.com
Tue Aug 9 11:49:57 CEST 2016


Dear Gromacs user,

Before spending time on linking Gromacs to Plumed and learning it in order
to do free energy calculations, I was wondering if Plumed does something
extra more than our normal free energy calculation, FEP, or PMF in Gromacs
or if it makes life easier in order to do these staff respect to the normal
methods in Gromacs? In another word what is the necessity for it, if there
is any?

Thanks,
Regards,
Alex


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