[gmx-users] there wasn't md_0_1.xtc file

soumadwip ghosh soumadwipghosh at gmail.com
Wed Apr 15 09:09:22 CEST 2015


 The errors mentioned in comment #2 indicates that the system is blowing up
and it is not equilibrated well. It is writing separate step.PDB files
since there are bad contacts. Probably your system is not properly
equilibrated. By the way , i didnot understand what do you mean by 'running
a covalent bond'. Check your input configurations.

Cheers,
Soumadwip


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