[gmx-users] Number of coordinates in .gro file does not match topology

Aishwarya Smriti smritiaishwarya85 at gmail.com
Mon Oct 30 09:41:14 CET 2017


I'm trying to solvate a system of a CNT and a protein molecule. My updated
topology file shows 106275 new solvent molecules added but the .gro file
has only coordinates for 6197 new molecules. I'm using SPC model for
solvating, Please help.

Aishwarya Smriti
Senior Undergraduate
Chemical Engineering
Indian Institute of Technology, Delhi

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