[AMBER] Hydrogen Mass Repartitioning without ParmEd

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

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

Stephane

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 09 2021 - 06:00:02 PST