On 11/9/13 9:51 PM, Gianluca Interlandi wrote:
On Sat, 9 Nov 2013, Gianluca Interlandi wrote:
Just to chime in. Here is a that paper might be helpful in understanding the
role of cuoffs in the CHARMM force field:
AU STEINBACH, PJ
BROOKS, BR
AF STEINBACH, PJ
BROOKS, BR
TI NEW SPHERICAL-CUTOFF METHODS FOR LONG-RANGE FORCES IN MACROMOLECULAR
SIMULATION
SO JOURNAL OF COMPUTATIONAL CHEMISTRY
SN 0192-8651
PD JUL
PY 1994
VL 15
IS 7
BP 667
EP 683
DI 10.1002/jcc.540150702
UT WOS:A1994NU17400001
Yes, that's the one I posted several weeks back. It describes the original
implementation of cutoff schemes in CHARMM.
-Justin
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Justin A. Lemkul, Ph.D.
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