[gmx-users] itp file with all hydrogens

Rotem Sertchook rotem.sertchook at weizmann.ac.il
Sun Jun 26 12:01:26 CEST 2005


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)


Rotem Sertchook

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