AMBER: frcmod file

From: deepti nayar <>
Date: Wed, 18 Apr 2007 12:01:52 +0530

hi all

I have made a dipeptide in xleap (phe-dehydrophenylalanine) using the command

dipeptide=sequence {NPHE CPHE}

since dehydrophenylalanine is a non standard residue so i editted it
manually in xleap. i added a double bond between alpha carbon and beta
carbon and did necessary changes., now i need to set the angle between
alpha carbon and beta carbon to 0 degrees. when i look at frcmod file
which could be loaded in xleap to make necessary changes, i do not
understand its format.what is PN number there?

 also i need to make two structures each with
PSI= PHI=180 and chi =0

and the other is PSI=PHI=-180 and chi=0

please help me with this as i am making mistakes and thus not able to
generate the required structure.

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Received on Sun Apr 22 2007 - 06:07:04 PDT
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