Dear all, is there an easy way to extract only the water molecules in the hydration layer/shell around the protein/polymer chain? I need them both for visualization of the trajectory and some analysis.
I can do this by writing my own program alright, but I wanted to know if there is any in-built prescription within gromacs. I am not being able to find it. Thanks, Suman. _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
