VMD-L Mailing List

From: Jason Smith (jason_smith_18_at_sfu.ca)
Date: Mon Apr 05 2021 - 13:31:05 CDT

Hi Nasrullah,

UV's influence on structure is primarily going to be electronic excitation wouldn't it? Therefore you are probably looking to simulate before and after excitation via QM/MM?

Cheers,

-
Jason Smith
Post-Doctoral Fellow
Robert N. Young Lab, Simon Fraser University
8888 University Drive, Burnaby, BC, V5A-1S6
Canada

________________________________
From: owner-vmd-l_at_ks.uiuc.edu <owner-vmd-l_at_ks.uiuc.edu> on behalf of Faisal, H M Nasrullah <hmnasrullah.faisal_at_ndsu.edu>
Sent: Monday, 5 April 2021 8:55:08 AM
To: John Stone
Cc: vmd-l_at_ks.uiuc.edu; namd-l_at_ks.uiuc.edu
Subject: vmd-l: Ultra-violet environment simulation in NAMD

Dear Dr. John Stone,

Hope you are doing well. I am just wondering whether we can simulate Ultra-violet light application on atomic structure in NAMD? If yes, are there any resources available regarding it. I am kind of stuck here.

Best Regards
H M Nasrullah Faisal
Ph.D. Candidate/Materials and Nanotechnology
North Dakota State University