I assume you are talking about the delta INT value, not the individual INT
values. This is often due to inconsistencies in the prmtop files. It is
usually easiest to make all the necessary prmtop files at the same time to
help prevent these types of errors.
This may not be the issue, but without more information this problem is
difficult to diagnose.
-Bill
On Thu, May 5, 2011 at 3:15 PM, mirage . <m.o.m.live.fr> wrote:
>
> Hi
> The internal energy term INT is not zero, in a single trajectory mm_pbsa
> calculations.
>
>
> What's wrong??
> Thanks in advance for any help
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 05 2011 - 12:30:05 PDT
