VMD-L Mailing List

From: Eduardo Estevez (eduardo45pr_at_gmail.com)
Date: Sun May 16 2021 - 13:13:06 CDT

Dear VMD users

I am trying to erase some water molecules that are too close to my protein
and nanotube, I used the seleted Atoms option using a logical conditional
according to the geometry of the nanotube (x² + y²> = R²) however this
methodology cuts the molecules of water in half leaving some atoms alone
and in the case of fibril it is very difficult for me to use this
method. Please
ask for a suggestion with some plugin or similar TCl code that allows to
eliminate the water molecules with a specific distance.

Sincerely

Eduardo