[gmx-users] H-REMD in umbrella sampling

Yuri Garmay yuri.from.spb at gmail.com
Mon Nov 23 18:12:24 CET 2015


One can make two virtual particles at COMs of corresponding molecules
and set harmonic potential between them with different length for
lambdas 0 and 1.

-- 
Best regards,
Yuri


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