Hey, Everyone,<br> Question about options for grompp command:<br> (1) "check14": the description is "Remove 1-4 interactions without Van der Waals". What's the meaning by "Van der Waals"? Does it mean if there is no corresponding Van der Waals parameter defined in [ pairtypes ], the item in [ pairs ] would be removed?
<br> (2) "shuffle": Is it compulsory for parallel running? I read from the manual that it's a must. <br> Thanks in advance.<br> Yours Sincerely,<br> WU Yanbin
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