Re: syntax

From: David A. Case <>
Date: Wed 16 Oct 2002 11:57:44 -0700

On Wed, Oct 16, 2002, Ioana Cozmuta wrote:
> I am trying to include in the sander input file a "for-to" cycle and I
> tried different syntaxes (unix shell syntax -bourne or cshell-, fortran,
> c..). What I want to do is vary the value of the cutoff over a range and
> perform a single point energy calculation for each of these. Is it
> possible to do this directly in an input file in sander or should that be
> done via a separate shell.

A separate shell is necessary...sander has no internal control syntax.
This is certainly on the "to-do" list, but don't hold your breath....


David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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Received on Wed Oct 16 2002 - 11:57:44 PDT
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