AMBER Archive (2003)

Subject: Re: AMBER: Fwd: Minimizing after solvation

From: David A. Case (case_at_scripps.edu)
Date: Mon Jul 21 2003 - 10:50:35 CDT

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 

-- 

==================================================================
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
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
==================================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu