Re: AMBER: Fwd: Minimizing after solvation

From: David A. Case <case.scripps.edu>
Date: Mon, 21 Jul 2003 08:50:35 -0700

On Mon, Jul 21, 2003, Angela Pantelogianis wrote:
>
> ATOMS DO NOT MATCH BETWEEN PARM AND MIN FILES

You can check the number of atoms in each file: it is the first integer
in both the prmtop and coordinate files. You will probably need to examine
closely what happened in LEaP, and double-check your file naming conventions,
etc. Sander won't work either until this sort of problem is resolved.

...good luck...dac 

-- 
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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:                   
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Received on Mon Jul 21 2003 - 16:53:02 PDT
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