AMBER Archive (2002)

Subject: Re: topology file generation

From: Carlos Simmerling (carlos.simmerling_at_sunysb.edu)
Date: Mon May 06 2002 - 07:27:06 CDT

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." <sanjeev_at_mbu.iisc.ernet.in>
To: <amber_at_heimdal.compchem.ucsf.edu>
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
>
>