VMD-L Mailing List

From: Muthukumaran Rajagopalan (kumaran_at_bicpu.edu.in)
Date: Fri Jun 22 2018 - 02:31:54 CDT

Dear VMD users,

I am solvating a bilayer using "solvate 1.7" plugin of vmd 1.9.3 version. The solvate plugin is reading the "topology file /usr/local/lib/vmd/plugins/noarch/tcl/solvate1.7/wat.top". The wat.top files contains "CHARMM22 Proteins and CHARMM27 Lipids" but I need to use the Charmm36 for bilayer and corresponding TIP3P.

When bilayer is solvated with Charmm27 TIP3P water model and simulated with Charmm36 force field causes the reduction in the area per lipid (APL) and bilayer enters gel phase was reported in literature.

And also, I read the previous thread in vmd mailing "http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/28230.html". As per the thread, it was mentioned vmd 1.9.3 version uses new C36 topology files but in my case it still loads the load charmm22/27 force field.

 Any help regarding how to use c36 waters will be very helpful..

R. Muthukumaran