Re: [AMBER] Lmode_in_Amber11

From: David A Case <>
Date: Thu, 26 Apr 2012 08:19:03 -0400

On Thu, Apr 26, 2012, JAIME RUBIO MARTINEZ wrote:

> >
> > These are the results that I have when I run the vancomycin_lmod test:
> > As it can be seen, I have wrong results for the Energies.

Now I see what you are referring to. We have not be running the lmod tests
for a while, and didn't realize that something bad happened. It looks pretty
simple(!?!) and I'll try to get a bugfix assembled (if there is indeed a
simple fix).

Workaround is to use the NAB interface to lmod.

[Istvan (others): the problem occurs on "make test.lmod" in $AMBERHOME/test.]

Thanks for the report....dac

AMBER mailing list
Received on Thu Apr 26 2012 - 05:30:02 PDT
Custom Search