[gmx-users] insert-molecules module

Siddhesh Kamat canalesvcf09 at gmail.com
Sat Jan 31 23:24:29 CET 2015

Hello everyone.

I want to add a simple solvents in cubic box of different sizes( 2 2 2, 3 3
3 , etc) .I am using gmx insert-molecules command for this purpose. The
problem I am facing is that for larger molecules(by size) it adds more
molecules than the smaller ones for the same box size. For example: I  was
able to add  180 molecules of MARTINI propane in a box of size 2 2 2 ,
whereas insert-molecules command added 441 MARINI hexane for the same box
size. Also my system crashes  if I specify the box size as 5 5 5
irrespective of solvent. Please advise and suggest possible solutions.

Siddhesh Kamat

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