In my (somewhat limited)experience you have to add the line print OUT
"fillratio=3 \n" to mm_pbsa_createinput.pm around line 435 to print
fillratio=3 to pbsa.in 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 <case.scripps.edu> 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
