[gmx-users] molecule type

sarah k dailycolors at gmail.com
Sat Apr 9 20:14:48 CEST 2011

dear Justin,

I should appreciate your guides in this period. They're really helpful but
again, I have some problem:

I started over, several times as you suggested. I replaced the name of SOL
with N2. The problem of coordinates was solved by manual addition of #N2
molecules to topol.top each time. But this error appears:
Program grompp_d,
Source file: topio.c, line: 587
Molecule type 'N2' contains no atoms

I checked the program of topio, grompp, and etc but I couldn't find SOL
molecule type to know how I can fix it. Would you please give me an idea? Is
gromacs able to simulate in non-aqous condition?

Sarah K.
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