Re: AMBER: xleap

From: David A. Case <>
Date: Thu, 1 Feb 2007 08:58:40 -0800

On Thu, Feb 01, 2007, deepti nayar wrote:
> i am suppose to carry out protein simulation. i wanted to know apart
> from specifying the force field,do i have to specify a .in extension,
> .dat extension and a .frc extension file separately????
> do all of these have to be loaded separately in xleap???

generally, yes. The leaprc files collect some common combinations of
libraries and parameters -- if you look inside one of the those files, you
will see the sorts of things that it is doing.

...good luck....dac

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Received on Sun Feb 04 2007 - 06:07:33 PST
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