Re: new-style prmtop file

From: David A. Case <case.scripps.edu>
Date: Sun, 23 Feb 2003 21:38:29 -0800

On Mon, Feb 24, 2003, chernhoe wrote:

> Hi, I encountered the following message while running min.in in
> amber7/tutorial/gb directory.
>
> GB calculations now require a new-style prmtop file
>

I can't reproduce your problem. The min.in file references trx.top, which
*is* a new-format prmtop file. And the example script works for me.

Can you post what the first few lines of your trx.top file look like? Also,
what machine/OS/compiler are you using?

...regards...dac

-- 
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David A. Case                     |  e-mail:      case.scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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Received on Mon Feb 24 2003 - 05:53:01 PST
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