AMBER Archive (2006)

Subject: Re: AMBER: Error in Running Sander

From: David A. Case (case_at_scripps.edu)
Date: Mon Sep 11 2006 - 10:59:45 CDT

On Mon, Sep 11, 2006, Jianhui Tian wrote:
>
> I run Sander to do MD for one molecule in vacuun using PME.

As you found out, you cannot do this in Amber, at least without some code
hacks. It is not clear what you are trying to accomplish here. Maybe if you
gave your reasons for wanting to do this, we could point to something else
that might work.

...dac

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