Thank you, Justin!
I did intend to use h-bonds for the CHARMM36 simulations and all-bonds
elsewhere (depending on the FF). I just wanted some clarity before I
proceeded.
On Fri, Nov 1, 2013 at 1:49 AM, Justin Lemkul wrote:
>
>
> On 10/31/13 2:21 PM, rajat desikan wrote:
>
>> Hi,
>> In the CHARM
On 10/31/13 2:21 PM, rajat desikan wrote:
Hi,
In the CHARMM36 paper (Klauda et al., JPCB 2010), only the hydrogen bonds
are constrained for the lipid simulations using SHAKE (excerpt from the
paper below)
"Consistent for all of these simulations was the use of a 1 fs time step
and constraining
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