[gmx-users] topology builiding

pankhuri arora pankhuri2001 at gmail.com
Wed Jul 21 07:17:13 CEST 2010

Hi There,
I am using x2top to build topology for a molecule using oplsaa forcefield
from a pdb file. I have added a few entries in the n2t file but i have got a
wrong topology as some additional bonds are made in the molecule. As far as
I know x2top ignores the connect information of the atoms. Is it possible to
modify the x2top code so that it reads the connect information and then
build bonds . Also, if I make some changes in the x2top code, do I need to
compile it the whole gromacs package again or whether I can compile it

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