Dear user,
After correcting many things in .itp file, still I am finding error as "1 1
yes 1.0 1.0". Can you please .itp file.
[ defaults ]
;nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ
1 1 yes 1.0 1.0
[ atomtypes ]
;name atnum
Dear all,
I am new to gromacs software. I was trying to make simple sodium nitrate
(NaNO3) molecules. I have made .pdb file. then I got .gro file from pdb2gmx.
But, I got struck in .itp file. Please help me. ( Na is nonbonded to any of N
and O in NaNO3. And Na is also nonbonded to Na of 2nd