AMBER Archive (2003)

Subject: Re: new-style prmtop file

From: David A. Case (case_at_scripps.edu)
Date: Sun Feb 23 2003 - 23:38:29 CST

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_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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