Hi, all
when I want to use gromacs preprocessor grompp to obtain .tpr to use in the
energy minimization as follow
grompp -f minim.mdp -c bradywaterbox.gro -p brady.top -o minimbrady.tpr
I got the following error message
Fatal error:
number of coordinates in coordinate file (bradywaterbox.gro, 670)
does not match topology (brady.top, 0)
where, bradywaterbox.gro & brady.top are obtained from
genbox -cp solvatedbrady.gro -cs spc216.gro -o bradywaterbox.gro -p brady.top
I think that the topology file didnot include the solvent molecules so it
canont be mached with the coordinate file .gro , did it?
So how can I fix this problem?
Regards,
Asmaa
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