[gmx-users] .gro file shows the wrong mass

hosein geraili geraili_hosein at yahoo.com
Thu Jul 26 10:23:22 CEST 2018


Dear all,
I tried to create Potassium-acetate .gro file using "acpype", and the same procedure works well with Sodium-acetate. The problem is when I open the .gro file in VMD for NA_ACC the mass for Sodium is correct, but for K_ACC it shows the mass of Potassium as 12 which is wrong.I attached the .gro file.What is the problem??BEst


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