[gmx-users] Entending water in negative Z direction

[Anirban Ghosh]

Hi ALL,

In previous posts I mentioned the problem I am facing: a portion of my protein (GPCR in a POPC bilayer) in extending out of the water box in negative Z-direction, how to extend the water in that direction. I have gone through the PBC section of the manual. While changing the Z coordinate value of the last line of the .gro file I am able to extend the water layer in the positive Z direction. But I am not able to extend it in the opposite direction. Decreasing the Z coordinate value is not helping that. How to do this? Any suggestion is welcome.

Regards,



 Anirban Ghosh


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