[gmx-users] mdrun -multi ???

[Selvakumar]

Hi gmx users,

i m trying to run a replica exchange method for my peptide (20 aa) with diff temp of (250, 300, 350, 400, 450, 500, 550, 600, 650, 700)K.

How to set these parameters and what is the cmd options for mdrun -multi ???

Thanks in advance

Selva

 

		
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