[gmx-users] distances between atoms in an electrostatic interaction
abdullah_renk_ahmed at hotmail.com
Thu May 6 12:00:41 CEST 2010
Dear Gromacs users,
I have an electrostatic interaction in my structure between GLU and LYS. After minimization the distance between the Hydrogen molecule on the Lysine and the Oxygen on the GLU is reduced to 1.4 A°.
Is it possible to pre-set this distance to be 1.6 A° instead?
I realize that using a distance restraint could be one way to do this. I would like to know if there is another way to do it that will not affect the final toa=tal energy term.
Thank you in advance,
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