xplor parameter to charmm

From: ËïæÃæà (stting_at_mail.nankai.edu.cn)
Date: Fri Jul 08 2005 - 03:54:19 CDT

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 Hi!
 I generated D_par.par of my ligand by XPLO2D, now I want to change my D_par.par
to CHARMM format. I contrast param19.inp(charmm force field) and param19.pro
(xplor force field),and find most parameters are the same while only the format
is different.BUT the last part,Van Der Waals parameters are distinct.
 
 CHARMM force field (param19.inp)
 NONBONDED
! Emin Rmin
! (kcal/mol) (A)
H 0.0440 -0.0498 0.8000
HC 0.0440 -0.0498 0.6000
C 1.65 -0.1200 2.100 1.65 -0.1 1.9 ! carbonyl carbon
CH1E 1.35 -0.0486 2.365 1.35 -0.1 1.9

XPLOR force field (param19.pro)
! ---------------------------------------
 NONBonded H 0.0498 1.4254 0.0498 1.4254
 NONBonded HA 0.0450 2.6157 0.0450 2.6157
 NONBonded C 0.1200 3.7418 0.1000 3.3854
 NONBonded CH1E 0.0486 4.2140 0.1000 3.3854

Who can give me the interrelation of them ,or the formula to transform them?Thank
you for any help!

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