[gmx-users] Basic Query

[priyanka srivastava]

Hie all,

I am currently involved in doing a lipid-peptide
simulation under NPAT conditions. The way I have
applied NPAT condition is as follows:

ref_p                   =  0 1
compressibility         =  0.0 4.5e-5

Although while performing analysis it shows that the x
and y dimensions are constant but still I am not sure
about the way I have applied NPAT. Could somone please
tell me the basis behind it?

Another thing is I have used vdwtype: cutoff.
But my intention is not to use the twin range cutoff
at all!! In my case rlist = rcoulomb = rvdw, i.e. all
three are same!! Is this alright? (the coulombtype    
        =  PME)

waiting eagerly for the reply,
Pri...


       
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