Re: [AMBER-Developers] Proposed parm top addition

From: David A Case <>
Date: Thu, 2 Feb 2012 11:24:22 -0500

On Thu, Feb 02, 2012, Carlos Simmerling wrote:

> i've always felt that there should be an "expert" flag that would turn lots
> of hard errors into warnings and let you continue anyway...

Charmm has a "bomblevel" (if I remember correctly), and the predictable
problems when users set it to a very high ("expert") level. I'm more in favor
of requiring those who claim to be experts to go into the code and comment out
checks they think should not be active; but to otherwise quit when the input
looks dodgy.


AMBER-Developers mailing list
Received on Thu Feb 02 2012 - 08:30:03 PST
Custom Search