dear
gmx-users I
want to simuate the hydrogen gas as a three point molecule with two hydrogen
atoms and a dummy atom placed at their midpoint. the charge on the h atoms is
0.475 and that on dummy atom is -0.950.I am trying to make a "hydrogen.itp"
file. [ moleculetype ]; molname
nrexclHYD 2[
atoms ]; nr type resnr residue atom cgnr charge mass#ifdef _FF_OPLS 1
opls_966 1 HYD H1
1 0.4752 opls_967 1 HYD
H2 1 0.4753 opls_968
1 HYD DH 1
-0.950#endif[dummies2];Dummy from from funct a
3
1 2 &nbs
p; 1 0.07will this file work for me.can any1
suggest me about this problem.Thanks Vipul
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