From: farzad kiani (farzad_kiani1364_at_yahoo.com)
Date: Sat Jun 20 2015 - 15:28:39 CDT
Dear Oguz
I do not know if OPLS force fields are available in NAMD config file. If they are available just replace atom types in psf file with those in NAMD config file.
If they are not available do as the below.
Firstly you should find force field parameters such as bonds, angles, dihedrals etc for OPLS in the references that most of them are experimental data.Then define these parameters as same as NAMD's config file. You should add them to NAMD config file. Notice to the NAMD formulations for these parameters when you add them to the config file. Finally, replace atom types in psf file with those you add to the config file.
Regards
Farzad Kiani
Sent from Yahoo Mail on Android
This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:21:55 CST