VMD-L Mailing List

From: Agarwal, Silvi (Silvi_Agarwal_at_student.uml.edu)
Date: Thu Mar 04 2010 - 12:07:37 CST

 Dear all,

 I've been trying to analyze the contacts between water and a given
 peptide from my trajectories. I used a Tcl script that can play in vmd.
Everything went well, except from the fact that VMD is not able to count the water molecules around my peptide from the image
 of my periodic box. I search the mailing list and found there is not such handling of pbc in VMD. Do you have any suggestions? Can anyone share his Tcl script?

 Appreciate your help....

 Silvi