[gmx-users] Using pdb2gmx with martini (coarse-grained) model to assign termini charges

Sourav Ray souravray90 at gmail.com
Tue May 24 23:14:48 CEST 2016


I am trying to put selective charges on the termini, I am getting stuck at
the initial stage where I am supposed to mention the force-field needed. As
martini termini differ from conventional ones, I am unable to bypass NH3+
or COO- termini options at the start and end respectively as there is no
appropriate force-field option present there. Please let me know if anyone
has a workaround.


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