[gmx-users] on the MDP options

Brett brettliu123 at 163.com
Sun Apr 26 09:49:08 CEST 2015


Dear All,
 
In the on-line lysozyme tutorial, it gives a series of mdp files. But it meantioned for different force fields the options should be different.
 
Will you please tell me regardless of force fields, whether all the cutoff-scheme can be Verlet? Besides I can change the rcoulomb and rvdw fom 1.0 to 1.4, what else should I change on the basis of the on-line tutorial MDP files, with the difference of the force fields?
 
I am looking forward to getting your reply.
 
Brett


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