AMBER Archive (2004)

Subject: Re: AMBER: LES question

From: Lishan Yao (yaolisha_at_mail.msu.edu)
Date: Wed Jan 28 2004 - 16:17:55 CST

Hi:
Thanks for your response. Now I'm using sander.LES. But I get this new
problem from the output. I changed MAXINT in sizes.h and recompiled it.
But the output gives me the same complain.Do I need to change something
else?

 Static Integer Memory requirement of: 8486978 exceeds MAXINT of
8000000

Thanks.
Lishan

On Wed, 2004-01-28 at 14:03, Carlos Simmerling wrote:
> 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
> >
> >
> >
> > -----------------------------------------------------------------------
> > The AMBER Mail Reflector
> > To post, send mail to amber_at_scripps.edu
> > To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
> >
> >
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu