From: Mikhail Suyetin (msuyetin_at_gmail.com)
Date: Tue Nov 19 2019 - 10:56:16 CST
Sorry for the late answer.
Great! Many thanks for this.
Another question, can you give me a hint where can I find a param file
(file with constants for bonds, angles, vdw interactions) for the
simulation of sodium dodecyl sulfate in NAMD?
On Thu, 14 Nov 2019 at 17:46, Vermaas, Joshua <Joshua.Vermaas_at_nrel.gov>
> 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.
> 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:
> Kind Regards,
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