Re: [AMBER] Group defining heavy atoms

From: David A Case <>
Date: Thu, 22 Jan 2015 07:58:52 -0500

On Thu, Jan 22, 2015, Jason Swails wrote:
> While sander and pmemd have a character limit on
> the length of the mask,

Why don't we just change this?

Larger update would be to allow multiple masks, with different restraint
weights. We already allow multiple masks (through GROUP), so it's just a
matter of coming up with a user interface that supports it.


AMBER mailing list
Received on Thu Jan 22 2015 - 05:00:02 PST
Custom Search