concerning connect command: my residu connects to others using 5 atoms.
I never used connect command, is this to define head and tail?
________________________________
From: Bill Ross <ross.cgl.ucsf.EDU>
To: amber.ambermd.org
Sent: Thu, July 22, 2010 7:50:28 PM
Subject: Re: [AMBER] question about bond command
> do I have to do in tleap: bond pdbname.REA.N75 pdbname.REB.C2
Sounds right - won't cost you to try it.
Technically if your residue connects to others using more than 2
atoms, you should also set connect2, connect3 etc. as needed
when defining the residue. Not sure what happens if you bond
without doing this.
Bill
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Received on Thu Jul 22 2010 - 12:30:03 PDT
