Dear all:
I am running a simulation at a supercomputer center.
I get the following message after submitting the job:
Found a non-zero 10-12 coefficient, but source
was not compiled with -DHAS_10_12.
If you are using a pre-1994 force field, you
will need to re-compile with this flag.
the ppl at the center are relunctant to recompile sander.
I have used parm99 set of parameters to set up my system.
Is anyone aware of a solution to this problem without
having to recompile?
Thanks.
-best regards, Samy.
On Thu, 14 Nov 2002, Michael Ford wrote:
> look at the .pl scripts that are part of mm_pbsa, they make sander
> calls, and might serve as a good starting point. Not sure about the
> leap commands, but I don't see why it wouldn't work.
>
>
> Good luck,
>
> Mike Ford
>
> Tod Pascal wrote:
> >
> > Hello all,
> > Is there a Perl module for AMBER available or is there any way to
> > execute LeaP command from within Perl?
> >
> > Thank you,
> > Tod Pascal
>
Received on Thu Nov 14 2002 - 16:18:34 PST
