[gmx-users] Problems with large molecule simulation
benjamin.tam.14 at ucl.ac.uk
Tue May 16 19:29:42 CEST 2017
Dear gromacs user,
I am trying to simulate a large system, but I ran into some fundamental problems. For example in the .gro file, the name of the atoms merge with the number count:
2MOL C2 9998 3.987 2.259 6.276
2MOL C5 9999 3.987 2.061 6.079
2MOL C110000 3.987 1.025 7.721
2MOL C210001 3.987 0.920 7.615
Sorry for this basic question, but how do people solve that problem? As I know there is a specific format for .gro file?
Thank you very much for your help.
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