Re: [gmx-users] *.pdb file for the Tip4p/ice model

2016-04-04 Thread Sheelan Sengupta
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

[gmx-users] *.pdb file for the Tip4p/ice model

2016-03-30 Thread Sheelan Sengupta
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,