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AMBER Archive (2009)Subject: [AMBER] (no subject)
From: Beale, John (jbeale_at_stlcop.edu)
I am doing MD on a 35-residue peptide in explicit water and I want to
trajin N390Smd2.mdcrd
donor mask :1-35_at_O
donor mask :1-35_at_N
acceptor TYR N H
acceptor SER N H
hbond distance 3.5 angle 120.0 solventneighbor 6 solventdonor WAT O
The "hbond" line is the same as found at the bottom of page 102 of the
Can anyone tell me what I am doing wrong?
Thanks!
John Beale
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