Re: [gmx-users] "check14" and "shuffle" options in grompp command

2007-09-10 Thread David van der Spoel
Yang Ye wrote: On 9/11/2007 7:05 AM, WU Yanbin wrote: Hey, Everyone, Question about options for grompp command: (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

Re: [gmx-users] "check14" and "shuffle" options in grompp command

2007-09-10 Thread Yang Ye
On 9/11/2007 7:05 AM, WU Yanbin wrote: Hey, Everyone, Question about options for grompp command: (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 define

[gmx-users] "check14" and "shuffle" options in grompp command

2007-09-10 Thread WU Yanbin
Hey, Everyone, Question about options for grompp command: (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 ] w