> While doing PTRAJ grid analysis, on visualizing the hydration pattern in
> VMD, i have to write the contouring level in terms of say ~2.5 times bulk
> water density like that.
> Can anyone help me to find how this bulk water density is calculated for a
> particular number of frames.
> Is that a fixed value for a particular number of frames?
Convert density to the appropriate units. Water is ~1g/cc -> convert to
molecules per A**3 -> molecules per grid element...
--tec3
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Sep 16 2011 - 02:00:03 PDT
