RE: AMBER: stripping water from a restart file

From: Bill Ross <>
Date: Fri, 24 Oct 2008 08:21:59 -0700 (PDT)

> I had no problem running SMD in explicit water using restart files =
> extracted from MD ...but trying to run the same simulation in vacuum =
> seems to be not straightforward at all ...

This is beyond my ability to diagnose. I would try running the non-parallel
version of sander to see if it makes a difference.

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
Received on Sun Oct 26 2008 - 05:07:43 PDT
Custom Search