[gmx-users] gmx solvate problem

G R golnaz.chem at gmail.com
Wed Nov 8 15:04:42 CET 2017

Hi All,

I’m simulating a box of tip4p ice. when I use the gmx solvate to fill the
top and below part of the ice surface with solvent (the solvent is tip4p
water), some of water molecules go to inside of the ice layers. I did not
receive any errors, but the coordinate files became messy after salvation.
I don't know how can I insert water molecules on the top and bellow of the
surface correctly.

Thank you in advance for any help,

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