[gmx-users] Umbrella sampling without pull
bioinformatic.lady at yahoo.com
Tue Apr 5 02:09:22 CEST 2016
Himy question is , can we use Umbrella Sampling without Pulling, Is it possible? i know the concept of Umbrella sampling and Replica Exchange, i have performed solvation of different small molecules in water and calculated energies. some of results are not good, so how can i improve these results, with simple solvation which method can be performed , US or replica exchange. Thanks in advance
Sana Saeed Khan,Research AssistantChemoinformatics LabGraduate Student, MS bioinfoDepartment of BioinformaticsSoongsil University, Seoul, South Korea.
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