[gmx-users] using dummy atoms

vips g vipul_indian at rediffmail.com
Sat Apr 5 18:17:49 CEST 2008

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 ant that on dummy atom is -0.950.I am trying to make a "hydrogen.itp" file. 
[ moleculetype ]; molname nrexcl   HYD      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   1    0.07will this itp file work for me.kindly suggest me.Vipul
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