Hi, In order to run my simulation, I had to insert GDP parameters in ffamber94 (the force field I'm using). However, I'm having a problem with GDP charge. the charge of every charge group in top file should be an integer. But I'm getting a decimal charge which gives me naturally a decimal total charge of my molecule. I checked number of atoms, it's correct, their charge also. But it seems it's having trouble adding charges & giving an integer charge. Does anyone have an idea where is the source of the problem?
Thanks Carla
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