Re: [gmx-users] possible buckingham potenital bug!

2006-11-11 Thread David van der Spoel
wurl wrote: gmx-users,您好! i have added bucking ham for the nonbonded interactions, and no L-J nobonded are used together with the buckingham parameters,as i read from the mailing list that mixed use of buckingham and L-J are not supported by the neighbor searching algorithm. but when genpairs

[gmx-users] possible buckingham potenital bug!

2006-11-10 Thread wurl
gmx-users,您好! i have added bucking ham for the nonbonded interactions, and no L-J nobonded are used together with the buckingham parameters,as i read from the mailing list that mixed use of buckingham and L-J are not supported by the neighbor searching algorithm. but when genpa