[AMBER] can i analysis number of water molecules in protein by watershell

From: ʯÄÈ <shina14.mails.jlu.edu.cn>
Date: Wed, 06 May 2020 21:21:50 +0800(CST)

   Dear amber developers:

   In the process of analyse the trajectory, I need to calculate the number of
   water molecules inside the protein in each snapshot. Can watershell achieve
   this goal? If not, can you recommend a better method. I am looking forward
   to your reply! Thanks very much!
   Yours sincerely!

   Na Shi
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed May 06 2020 - 06:30:07 PDT
Custom Search