RE: Simulation of sodium dodecyl sulfate

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Thu Nov 14 2019 - 10:46:05 CST

Hi Mikhail,

SDS is in toppar_all36_lipid_detergent.str in the CHARMM 36 force field. The sodium would come from a solvate command to neutralize the system.

-Josh

On 2019-11-14 09:09:43-07:00 owner-namd-l_at_ks.uiuc.edu wrote:

Dear All,
Hope you are doing great.
I would like to ask you, does anybody have files (psf, pdb, topology) for performing simulations for sodium dodecyl sulfate:
https://en.wikipedia.org/wiki/Sodium_dodecyl_sulfate
Kind Regards,
Mikhail

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:12 CST