[AMBER] residue selection

From: Wang Chern Hoe (Dr) <"Wang>
Date: Thu, 25 Jul 2013 16:28:51 +0800


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

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Received on Thu Jul 25 2013 - 01:30:03 PDT
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