Re: [AMBER] ntxo option in amber

From: David A Case <david.case.rutgers.edu>
Date: Sat, 11 Nov 2017 09:27:21 -0500

On Sat, Nov 11, 2017, Leena Aggarwal wrote:

> In Amber 12 reference manual, ntxo=0 and 1 are specified but the simulation
> is running even with ntxo=2,3 and even with 4.

Current versions of the code only allow 1 and 2; apparently back in 2012
this was not enforced. You'll have to see what sort of output formats you
are getting with your inputs.

...dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Nov 11 2017 - 06:30:02 PST
Custom Search