Hi ALL,
I have a built a system of protein embeded in lipid bilayer and solvated it
according to the GROMACS membrane simulation tutorial. I want to delete a few
water molecules that are there in the hydrophobic core of the bilayer. I
deleted them manually from the .gro file and corrected the atom numbers, but
still getting an error:
-----------------------------------------------------------------
Invalid line in prt_genbox_MOD.gro for atom 73510:
10.81119 10.81119 10.01306
-----------------------------------------------------------------
How can I modify the last line and get a correct .gro file by removing the
unwanted waters? In the tutorial it is stated that there are some scripts to
remove the unwanted waters. Can anyone provide me such a script.
Any suggestion is welcome.
Regards,
Anirban GhoshGrade Based Engineer
Bioinformatics Team
Centre for Development of Advanced Computing (C-DAC)
Pune, India
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