Dear AMBER users,
I want to know how the 1-4 pairlist is created in the AMBER program. By tracing the code,
I know that it is created by checking the dihedral interaction list. The program
reads:
---------------
i3 = ip(n)
j3 = jp(n)
k3 = iabs(kp(n))
l3 = iabs(lp(n))
ic0 = icp(n)
f = fmn(ic0)
k = kp(n)
l = lp(n)
if( k>0 .and. l>0 .and f>0.d0 ... ) then
add to list...
endif
---------------
my question is: what is the fmn() array? is it related to extra-point? if I am using
the ff03 force field, can I ingored it safely?
Thank you very much!
---
J. Zhang, Dr.
Institute of Biophysics
Nanjing University
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Dec 06 2006 - 06:07:20 PST
