VMD-L Mailing List

From: jnsong (jnsong_at_itcs.ecnu.edu.cn)
Date: Tue May 17 2011 - 08:54:54 CDT

Dear all,

As we all know, the PSF files produced by "$sel writepsf" function in
VMD will lack angles, dihedrals, impropers, and cross-terms. If I use
this kind psf to perform MD simulation using NAMD, will the results of
MD simulation be different from the psf generated by psfgen?

Thank you very much!

Jianing 

-- 
Jianing Song
Ph. D. Student 
Institute of Theoretical and Computational Sciences
Dept. Phys.
East China Normal University
200062
3663 North Zhongshan Road
Shanghai, P. R. China