Re: Reg: simulating an amino acid in dichloromethane

From: Branko (bdrakuli_at_chem.bg.ac.rs)
Date: Mon Jan 05 2015 - 05:39:13 CST

Akshay,

It is CH2Cl2 cluster, which can be used for solvation, in VegaZZ
(http://nova.disfarm.unimi.it/cms/index.php?Software_projects:VEGA_ZZ:Download).
If you need CHARMM36 parameters for CH2Cl2 solvated amino acid or
similar, you could use paramchem server, as Jeff suggested

  Branko

On 1/3/2015 6:18 AM, Akshay Bhatnagar wrote:
> Hello
>
> Can anyone provide me with the topology and parameter files for
> dichloromethane as a solvent instead of water.
>
> With Regards
> Akshay Bhatnagar
> PhD Student
> BITS Pilani Hyderabad Campus
>

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