Re: [AMBER] possible bug: problem with defining per-residue energies using RRES & LRES

From: case <>
Date: Fri, 5 Nov 2010 15:53:23 -0400

On Fri, Nov 05, 2010, Jason Swails wrote:

> Yes, there is a hard limit of 7 "fields" that you may specify

I think(?) that there is indeed a limit of 7 fields for a given card, but you
can place as many RES (or RRES, etc) cards back to back as you want. If true,
this means you can in effect have has many components in a given group as
you need.

Comments about poor documentation are on point -- please consider updating
that section of the users' manual in git. As usual, an example or two trumps
any number of words.


AMBER mailing list
Received on Fri Nov 05 2010 - 13:00:02 PDT
Custom Search