different values of "1-4scaling" in a system

From: D70039 (takaiwa-dai_at_aist.go.jp)
Date: Wed Jun 16 2010 - 06:00:06 CDT

Hi all,

I’m trying to run NAMD with mixture of the original CHARMM force field and a modified CHARMM force filed. One of the differences between the original version and the modified version is value of the keyword "1-4scaling" in configure file.

By the way, "1-4scaling" is used to change the electrostatic interactions between 1-4 atom pairs to my knowledge.

If the scale factors are different for different atom types as this , what should I do for the configure file ? 

Thanks in adavnce,

Daisuke Takaiwa


Daisuke Takaiwa

Nanosystem Research Institute(NRI)
National Institute of Advanced Industrial Science and Technology(AIST)
1-1-1 Umezono, Tsukuba 305-8568, JAPAN

E-mail takaiwa-dai_at_aist.go.jp

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