[gmx-users] question

Nikhil Maroli scinikhil at gmail.com
Sat Dec 30 11:27:54 CET 2017


What forcefield are you using? it is not advised to change the parameters
such as r columb and rvdw. If the smallest box vector is less than 2 x
longest cut off then you are not satisfying the minimum image convention.
atom name mismatch may indicate that the order of the topology does not
match with the coordinate files, using maxwarn is not a good idea.So here
you can try to fix atom mismatch problem first.

If it is not yet solved post your coordinates and topology details.

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