[gmx-users] Re: DNA simulations

SatyaK mail2mvskumar at yahoo.com
Thu Jul 5 13:14:17 CEST 2012

 Thanks Tsjerk for your guidance. In fact, I had been removing some H atoms
from the water molecules (which are close to DNA by choosing them manually
depending on the coordinates which is a tedious process) to convert them to
OH. Then, I try to input this file to Lammps applying Reaxff potential. I
will get back to you if I run into any problems.

 With Regards,

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