[gmx-users] How to do Monte Carlo in gmx

xiao helitrope at 126.com
Mon Apr 14 16:20:36 CEST 2014


Dear Gromacs users,


I am studying the dimerization of two organic molecules. I hope i can simulate the dimerization process by using Monte Carlo method. I noticed that the MC script is in the latest version of gromacs 5.0, but there is  no such manual on that, and the latest manual is 4.6. Can anyone tell me how to use MC in gromacs?


Best regards


Fugui


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