[AMBER] Hydrogen Mass Repartitioning without ParmEd

From: ABEL Stephane <Stephane.ABEL.cea.fr>
Date: Tue, 9 Nov 2021 13:49:40 +0000

Dear all
I have a silly question. For some reasons I can not use ParmEd but would like to perform MD with Hydrogen Mass Repartitioning approach. So it is possible to modify a prmtop file and adjust the C and H masses without using ParmEd but using for instance tleap or another Amber tools ?

Thank you


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Received on Tue Nov 09 2021 - 06:00:02 PST
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