AMBER Archive (2004)

Subject: Re: AMBER: LES question

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Wed Jan 28 2004 - 13:03:04 CST

ayou should be using sander.LES. if you are already
using that and still get the error, please send a copy of
your script that runs sander.
carlos

----- Original Message -----
From: "Lishan Yao" <yaolisha_at_mail.msu.edu>
To: <amber_at_scripps.edu>
Sent: Wednesday, January 28, 2004 1:52 PM
Subject: AMBER: LES question

> Dear amber users:
> I try to use LES simulation in amber 7 for my protein ligand complex
> system. I get this error. Can anyone tell me which file should I change
> to compile?
>
> Thanks in advance.
> Lishan
>
> *** THIS VERSION WILL NOT ACCEPT TOPOLOGY FILES
> THAT WERE CREATED BY ADDLES, WITH NPARM=1
> USE A VERSION COMPILED WITH -DLES
>
>
>
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