Dear all users,
I have a organic solute (non-spherical) in 64 solvent molecules and I want
to plot a 3D isodensity surface of solvent around my solute molecule. For
this i use grid command using cpptraj (version 13.0) as follows-
*trajin prod.mdcrd*
*center :1*
*autoimage*
*rms mass out rms.dat :1*
*grid test.xplor 20 2 20 2 20 2 :2-65*
*go*
after running i got the file test.xplor and i viewed it with vmd but i got
a bad plot, which is not showing solvent and solute individual.
So please help me that what should i do for this.
Thanking You.
--
Robin Jain
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 11 2015 - 01:30:06 PDT
