Re: topology file generation

From: Carlos Simmerling <>
Date: Mon 6 May 2002 08:27:06 -0400

leap can handle input from a file without a problem.
we've made scripts that call leap and it
works fine.
carlos simmerling

----- Original Message -----
From: "Sanjeev B.S." <>
To: <>
Sent: Monday, May 06, 2002 1:36 AM
Subject: topology file generation

> Hello,
> I would like to automate generation of topology file for a large
> number of PDBs. Doing that LEaP (at least in amber6) does not
> facilititate..., because user has to explicitly type at least one command
> (to source a file). Is there any other way of doing it? Is there any other
> way to redirect a file as input?
> Thanks very much in advance for any information,
> -Sanjeev
Received on Mon May 06 2002 - 05:27:06 PDT
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