VMD-L Mailing List

From: Hyun Tae Jung (junght_at_sogang.ac.kr)
Date: Wed May 26 2010 - 08:42:48 CDT

Hello.

I used the "Radial Pair Distribution Function g(r)" module on VMD 1.8.7 for DPPC/DPPS mixture systems.

I obtained the radial distribution function between,
selection 1 : (type O13A or type O13B) and resname DPPS
selection 2 : resname SOD

I checked "use PBC", "display g(r)", "save to file"

However, comparing the function obtained by my calculation program,
they are different and it seems that the module is wrong.

some radial distribution functions are almost same to directly calculated functions,
but, except above example, for instance, the radial distribution function between "water" and "(type O13 or type O14) and resname DPPS" is also wrong.

Hyun Tae Jung

===================
Hyun Tae Jung
Master student, Department of Chemistry
R1214, Ricci Hall, Sogang Univ., Seoul, South Korea
junght_at_sogang.ac.kr