Amber14 in NAMD 2.13

From: nikolaev_at_spbau.ru
Date: Thu Jan 23 2020 - 08:57:23 CST

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Dear collegues,

I want to use charmm-formatted amber parameters in NAMD-2.13. I found that
I need to scale 1-4scaling 0.833333333, add scnb 2.0, if I use the amber
.parm7 files. I also found that for NAMD.2.7 I would have to modify
src/common.h file.

Should I modify anything in .conf file, if I use charmm-formatted amber
parameters in NAMD-2.13?

I use it like this now:

paraTypeCharmm on
parameters ./par_amber14.inp
temperature $temperature

# Force-Field Parameters
exclude scaled1-4
1-4scaling 0.83333333
cutoff 16.0
switching on
switchdist 14
pairlistdist 17.0

zeromomentum on
useSettle on
rigidTolerance 1.0e-8

Best regards,
Dmitrii

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