[gmx-users] add heavy atoms

Carla Jamous carlajamous at gmail.com
Fri Jan 8 08:18:29 CET 2010

Hello everyone,

I need a precision, concerning gromacs. In my pdb file, some heavy atoms are
missing but I need them for my simulation. So my question is: is there an
application in gromacs, that can add automatically these heavy atoms? If
not, does anyone have an idea of how can I do this?

PS: I'm using ffamber94 with gromacs.


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