Re: AMBER: Increase lastrst in the &cntrl namelist

From: David A. Case <case.scripps.edu>
Date: Tue, 31 Aug 2004 21:53:20 -0700

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.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Sep 02 2004 - 01:15:12 PDT
Custom Search