Re: [Apbs-users] apolar calculation read PQR and parm flat

[Robert K. <ro...@uc...>]

Hi Greg,

you can duplicate the iAPBS calculation with this APBS input file section:

...
apolar name npolar
bconc 0.0
press 0.0
dpos 0.2
mol 1
srfm sacc
grid 0.2 0.2 0.2
...

Robert



On Mon, Jul 20, 2009 at 07:10:25PM -0400, Greg Guthe wrote:
> Hi,
> 
> I can get nonpolar solvation energies from iAPBS using only a PQR
> file. Can I run the same calculation in APBS or does APBS only run
> apolar calculations with water using parm flat input?
> 
> Thanks,
> Greg
> 
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