ideas/pointers/help would be greatly appreciated.
Thanks in advance.
Ali Hassanali
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Dear Gromacs Users,
I am simulating a system that consists of a tryptophan linked to a thymine
dimer (two thymine bases stacked together) and am interested in how the
configurational properties of neutral tryptophan linked to neutral thymine
compares with tryptophan cation linked to thymine
over a period of ~100ps. These water
motions facilitate protein motions in some way and I am hoping to quantify
this better.
Ali Hassanali
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