Hi,
When I am using the following command :
restraintmask=':* & !.H='
for an explicit solvent simulation, am I restraining all heavy atom residues on the protein, or am I restraining all heavy atoms including the water oxygen ?
If it is the later, what is a correct and general way of specifying all heavy atom residues on the protein only ?
Thank you in advance
CONFIDENTIALITY:This email is intended solely for the person(s) named and may be confidential and/or privileged.If you are not the intended recipient,please delete it,notify us and do not copy,use,or disclose its content.
Towards A Sustainable Earth:Print Only When Necessary.Thank you.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 25 2013 - 01:30:03 PDT
