VMD-L Mailing List

From: Bahaa Mostafa (bmostafa_at_sci.cu.edu.eg)
Date: Wed Jan 14 2015 - 23:56:13 CST

dear vmd community;
i want to calculate energy using namd energy plugin, but i don't know what
is meant by the field "selection", i mean what type of entries are required
in that field, can anyone give me an example on , say glycine molecule,

another question, could this plugin calculate potential energy surface for
a molecule?

thanks in advance, 

-- 
*Disclaimer:* This E-mail represents the views of its author only and does 
not necessarily reflect the opinions of Faculty of Science (*SCI 
<http://www.science.cu.edu.eg>*). We do not assume responsibility for any 
loss, damage (including direct, indirect, punitive, special, or 
consequential loss or damage), which you may directly or indirectly suffer 
from this email or its contents or through the ways of handling this email 
which includes sending, receiving, replying, forwarding, deleting, saving 
or changing and adjusting its content in any way.
The existence of *SCI* <http://www.science.cu.edu.eg>logo on any material 
you receive means that it has been uploaded on the network servers, and 
does not necessarily mean that *SCI* <http://www.science.cu.edu.eg>owns 
these materials either partially or fully. In addition, any service that is 
provided by and/or through *ITU(SCI) <http://itu.sci.cu.edu.eg>*, without 
exception, does not take any responsibility for any illegal use through 
them either by negligence, misconduct, misuse and/or abuse. And even though 
our network checks and scans all e-mails to make sure it is safe and does 
not contain any viruses,Trojans or Spywares , it is also the responsibility 
of the recipient to ensure that the e-mails and attachments therein are 
free of any danger, and *SCI <http://www.science.cu.edu.eg>*will take no 
responsibility for any damages or losses that may arise as a result from 
the misuse or the presence of viruses or spyware sent through messages or 
web services.