From: Rui Chen (rchen6_at_ualberta.ca)
Date: Tue Aug 27 2019 - 15:54:59 CDT
Hello,
I am running MD simulation using NAMD. The input files were prepared from
AMBER force field. I realized there are some differences between AMBER and
CHARMM force fields. "The most important difference concerns the 1-4
non-bonded charge-charge interactions, which are scaled by a factor of
0.833 in the AMBER force field and scaled by a factor of 1.0 in the CHARMM
force field." I am following a charmm force field configuration file. Is
there any other parameters that I need to change? For example, in AMBER
force field, switches off, rather than scaling.
If I forget to set the 1-4 scaling to 0.8333 (I used 1.0), how it will
influence the system? Thank you.
Best regards,
Rui
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