Hello,
I succeeded with the command gmx insert-molecules to randomly insert 10 molecules in a box. Besides, I can’t generate the .top file. Apparently there are atoms coming out of the box which prevents the correct generation of the .top file.
Any suggestions to solve this problem???
Thanks
Hi,
an option is to generate the topology for the 1 molecule and then update the [ molecules ] directive from 1 to 10 (if 10 is the total number of molecules in the gro file).
\Alessandra
Thank you so much.