to be careful to use the same
atom ordering as the topology) and replicate it using gmx genconf so
the crystal has the dimensions you need.
On Thu, Mar 31, 2016 at 1:32 AM, Sheelan Sengupta <s.sengu...@ncl.res.in> wrote:
> will put an ice nuclei (small ice crystal) in a box of water to stud
need the *.pdb file of Tip4p/ice model. Please help.
Regards,
Sheelan S C
Phys Chem Div
Disclaimer:
This message and the information contained herein is proprietary and
confidential and subject to the policy statement of the National Chemical
Laboratory,