Hello, I am trying to make an dynamic index file of the hydration shell of my protein (hopefully using it with other gromacs tools). I am considering up to 10A from protein as the distance needed for my selection. I am using g_select with the following format:
g_select -f traj.xtc -s traj.tpr -on hydrationlayer -n -seltype res_com -select 'SOL within 10 of protein' but I get error messages about syntax. How can I select water molecules within 10A of my protein then? Best, Paymon -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
