[AMBER] CPPTRAJ, Salt Bridge

From: Matthew Guberman-Pfeffer via AMBER <amber.ambermd.org>
Date: Thu, 2 Feb 2023 15:55:27 +0000

Dear AMBER Community,

I’m trying to use CPPTRAJ to quantify salt bridges. Dan previously suggested on a post that the hbond command can probably be used for this purpose. What do you specify for donorhmask in that case since it has to have a 1:1 correspondence with donormask?

Best,
Matthew


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Feb 02 2023 - 08:00:03 PST