[gmx-users] Regarding No more replaceable solvent!

Dilip H N cy16f01.dilip at nitk.edu.in
Mon Feb 19 07:14:32 CET 2018

I added 10 Na+ and Cl- ions to the aminoacid-water system containing 512
molecules through the command
gmx genion -s em.tpr -o abc.gro -p topol.top -pname NA -nname CL -np 10 -nn

but now, i want to increase the concentration, so i want to add 45 Na+ and
Cl- ions (from calculation, the concentration for 45 ions is 5M...), but
when i give the commands:
gmx genion -s em.tpr -o glywi.gro -p topol.top -pname NA -nname CL -np 45
-nn 45
gmx genion -s em.tpr -o glywi.gro -p topol.top -pname NA -nname CL -conc 5

I am getting the error as:

No more replaceable solvent!

So, Is there any limit here..?? The maximum concentration that i can get is
2M (through -conc 2 command), and after that, if i change from -conc2 to
-conc3 etc., i am getting the same error as "No more replaceable solvent!".

Any suggestions are appreciated...

Thank you

With Best Regards,

Ph.D. Student

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