[gmx-users] itp file with all hydrogens
Rotem Sertchook
rotem.sertchook at weizmann.ac.il
Sun Jun 26 12:01:26 CEST 2005
Hello,
I'm a beginner in the world of gromacs, looking for classic md
simulation of protein with NADP+ cofactor with the OPLS ff. I tried
to use the PRODRG however, the results here is only with polar
hydrogen atoms. Is there is any simple way to create an itp file with
all hydrogens?
(I need all hydrogens for further working with Gaussian onium)
Thanks
Rotem Sertchook
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