Re: Parameters for esters

From: Jerome Henin (jhenin_at_cmm.chem.upenn.edu)
Date: Tue Aug 25 2009 - 14:36:58 CDT

Hi Jorgen,

Typically, esters are parametrized as part of the lipid force field. You can
construct an ester topology from some lipid topology, and all the parameters
should be available.

Best,
Jerome

On Mon, Aug 24, 2009 at 12:55 PM, Jorgen Simonsen <jorgen589_at_gmail.com>wrote:

> Hi all,
> I have been looking but not been able to find any parameters for ester in
> the charmm topology files - I have the c33 version of the topology files.
> Anybody knows where to get the parameters or is it necessary to build them
> from existing parameters?
>
> Any suggestions appreciated
>
> Thanks in advance
>
> Best
> Jorgen
>

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