Gromacs ligand topology file for force field 43a1.

04 April 2013 1 9K Report

I am just new to gromacs. Can anyone please help me in correcting these charges for the itp file, i.e. how to adjust them? These have been generated by prodrg, I have read the article for correcting it but couldn't make it. At further steps the error is generated while running the energy pressure and temperature.

Ayzeha Kalsoom

Please anybody help me in this

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