[gmx-users] Micelle Modeling

Janowicz, Adrianna C. ajanow3 at uic.edu
Tue Jul 12 17:22:44 CEST 2011

I'm trying to start a micelle modeling project & have tried countless
approaches to making a DPC micelle. My problems include:
-DPC not being recognized when I try to imput it into the [molecules]
seciton of the topology file to account for the DPC molecules in the water
topology. Otherwise, the molecule #s do not match. (This approach included
using a coordinate file for DPC & using the -nmol fuction in genbox to
place the DPC molecules into the water).

I would appreciate any help. Even if this means taking a totally different
approach in getting the DPC molecules into the box.


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