Re: amber-developers: fillratio

From: Seth Hayik <>
Date: Mon, 30 Jun 2008 19:28:51 -0400

In my (somewhat limited)experience you have to add the line print OUT
"fillratio=3 \n" to around line 435 to print
fillratio=3 to when MM_PBSA creates it. If you don't put it in this
file it will be overwritten when MM_PBSA creates a new set of input files,
which from what I can tell is every time its started.

On Mon, Jun 30, 2008 at 4:37 PM, David A. Case <> wrote:

> On Mon, Jun 30, 2008, Adrian Roitberg wrote:
> >
> > I have tried to change the fillratio flag in the input file,
> Which input file? Exactly what did you change? (Setting fillratio=3.0
> in the "pb" namelist looks like it should do the trick. So, I'd like to
> know
> exactly what you tried before investigating further.)
> ...dac
Received on Wed Jul 02 2008 - 06:07:29 PDT
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