[gmx-users] force-switch as vdv-modifier

[Chandan Choudhury]

Dear gmx users,

I was trying to use the Force-Switch as the vdv-modifier with Verlet cutoff
scheme.
The use of Force-Switch produces the following error:






*ERROR 1 [file grompp.mdp, line 63]:  Invalid enum 'force-switch' for
variable vdw-modifier, using  'Potential-shift-Verlet'  Next time use one
of: 'Potential-shift-Verlet' 'Potential-shift' 'None'  'Potential-switch'
'Exact-cutoff'*
I am using the 4.6.6 version of GPU enabled gromacs.

Please let me know how do I circumvent the error.

The snippet of the mdp file is here:

; NEIGHBOR SEARCHING
cutoff-scheme            = Verlet
nstlist                  = 10
ns_type                  = grid
pbc                      = xyz

; Method for doing Van der Waals
vdw-modifier              = force-switch
; cut-off lengths
rvdw_switch              = 1.1
rvdw                     = 1.3



Thanks
Chandan
--
Chandan Kumar Choudhury
National Chemical Laboratory, Pune
India

*"All work and no play makes Jack a dull boy...”*