Dec 10, 2009

The study records of the Gromacs (mainly about the mistaks I met during MD)

(1) Following the online manual from http://manual.gromacs.org/current/online/water.html
When try gmxdump -s topol.tpr | more, it's going to show

Fatal error:
Too many warnings (1), grompp terminated.
If you are sure all warnings are harmless, use the -maxwarn option

to solve this question, need to delete the arguments "bd-temp" (or just simply add ; before it) of the grompp.mdp file.

(2)

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