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
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
==================================================================
Received on Mon Feb 24 2003 - 05:53:01 PST
