AMBER Archive (2004)

Subject: Re: AMBER: Increase lastrst in the &cntrl namelist

From: David A. Case (case_at_scripps.edu)
Date: Tue Aug 31 2004 - 23:53:20 CDT


On Tue, Aug 31, 2004, Sichun Yang wrote:
>
> I have the error message and then increase the namelist by inserting
> an extra line: lastrst = 2500000.
> However, I check the output and it seems sander didn't take this input.
> Any suggstion? Thanks,

We need more information: what is the *exact* error message, both before
you added the extra line, and after you added it? What sort of calcualtion
are you running? Which version of amber?

...dac

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