[gmx-users] (no subject)
pqchen at eyou.com
pqchen at eyou.com
Mon Dec 30 14:43:35 CET 2002
Dear gmx-users:
I am now making the topol file of my molecule manually!I can easliy to
make
the atoms,bonds.angels.dihedrals section of the molecular topol file,but
when
it come to pairs i didn't understand how to definition of it(I use the
opls-aa
force field)£¡From the gromacs user manual,I know that opls force field
calculate the 1-4 interations by scaling.Does it mean the "pairs" section
can
be empty?
Thank you for any help!
Best wish!
PeiQuan Chen
--http://www.eyou.com
--Îȶ¨¿É¿¿µÄÃâ·Ñµç×ÓÐÅÏä ÓïÒôÓʼþ Òƶ¯ÊéÇ© ÈÕÀú·þÎñ ÍøÂç´æ´¢...ÒÚÓÊδ¾¡
More information about the gromacs.org_gmx-users
mailing list