VMD-L Mailing List

From: anupama sharma (anusharma.jan1995_at_gmail.com)
Date: Wed Oct 02 2019 - 07:53:27 CDT

dear all,
I want to extract the trajectory of water molecules near the protein
surface within 5 angstorm region. I was able to do that in vmd but it is
for only one time frame and than the water molecules diffuses away for the
next time frame. I want to extract the trajectory of only those water
molecules that are near protein surface within 5 angstorm region for each
individual time frame so that i can get the complete trajectory of water
molecules that are near the protein surface excluding the water molecules
that diffuses away in each next frame......
I will be thankful for help.

Thanks and regards
Anupama,