[gmx-users] distorted structure

Olga Ivchenko olga.ivchenko at gmail.com
Wed Mar 30 10:50:52 CEST 2011

Dear gromacs users,

I want to simulate small molecule - choline which is not neutral, it has
uncompensated positive charge. When I transform mol2 file to pdb structure
looks distorted (not correct) in VMD. I added with genion to the system a
negative ions, but the pdb structure is still distorted. Please could you
advice me on this?

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