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AMBER Archive (2006)Subject: AMBER: ptraj help - ERROR in readParm: ... failed to find CHARGE
From: fine wu (finewu_at_gmail.com)
Dear all,
I am a novice of Amber and wondering if anyone can help me with this
ptraj
ERROR in readParm: ...failed to find CHARGE
But when I opened the topology file, apparently there are charges section in
%FLAG
6.43429413E+00 -6.57825030E-01 -7.50940983E+00 1.82223000E+00
1.82223000E+00 -7.50940983E+00 1.82223000E+00 1.82223000E+00
1.08841798E+01 -1.03484442E+01 -4.64304204E+00 3.49868160E-01
7.12491930E-01 3.44401470E-01 3.88134990E-01 3.88134990E-01 -
-----------
I am really confused and don't know how to solve the problem. Can anyone
-Fine
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