[gmx-users] how to maintain planarity of graphene sheet

[VITALY V. CHABAN]

By using high force constants for all bonded terms.

An ideally planar graphene in the solution/dispersion is an unphysical
model though. You must read literature for further insights:

http://pubs.rsc.org/en/content/articlelanding/2015/ra/c5ra16857k#!divAbstract






On Thu, Jan 14, 2016 at 5:13 AM, jagannath mondal <jm3745 at columbia.edu>
wrote:

> Hi
>
>   Which restraints can one  use to maintain planarity of graphene sheets
> while performing MD simulations of their association ? I guess
> flat-bottommed restraints will not work.
>
> Jagannath
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