[gmx-users] Re: DNA simulations

[SatyaK]

 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,
 Satya.

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