Dear All,
I used gaussian output to generate forcefield parameters using antechamber in AmberTools 1.3. My molecule is a DNA analogue. In frcmod file I got the same dihedral with different values of parameters, some part of frcmod file is listed below.
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.
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CT-N*-CM-H4 1 0.625 180.000 2.000 same as X -c2-na-X
CT-N*-CM-CM 1 0.625 180.000 2.000 same as X -c2-na-X
CT-N*-C -NA 1 1.450 180.000 -2.000 same as X -c -na-X
CT-N*-C -NA 1 0.350 180.000 4.000 same as X -c -na-X
CT-N*-C -O 1 1.450 180.000 -2.000 same as X -c -na-X
CT-N*-C -O 1 0.350 180.000 4.000 same as X -c -na-X
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.
.
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Since this is one molecule, is it possible to get the same dihedral with different parameters (lines 3 & 4, as well as lines 5 & 6)?
This is normal frcmod file?
Thank you very much in advance for your answers.
Best,
Xioling
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Received on Sat Jul 10 2010 - 06:00:03 PDT
