section 7.3.11 of gromacs manual (v4.0)/
-Gaurav
On Thu, Jun 24, 2010 at 4:40 AM, Erik Marklund wrote:
> you zou skrev:
>>
>> Dear users,
>>
>> I have a question about vdwtype. My question is if I use vdwtype=shift in
>> nvt.mdp file:
>>
>> ; Neighborsearching
>> ns_type = grid ; search neighbor
you zou skrev:
Dear users,
I have a question about vdwtype. My question is if I use vdwtype=shift
in nvt.mdp file:
; Neighborsearching
ns_type = grid ; search neighboring grid cels
nstlist = 5 ; 10 fs
rlist = 1.0 ; short-range neighborlist cutoff (in nm)
rcoulomb = 1.0 ; short-range electro
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