Re: [gmx-users] nonbonded molecules and atoms

2016-10-07 Thread Justin Lemkul
On 10/6/16 10:51 PM, sumair ahmed wrote: 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

[gmx-users] nonbonded molecules and atoms

2016-10-06 Thread sumair ahmed
  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