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