Re: [gmx-users] Re: refcoord_scaling = com

2013-06-14 Thread Justin Lemkul
On 6/14/13 6:33 AM, maggin wrote: Hi, Justin, At md step, protein run out of box, if it will better that set position constraint, let protein at center of box? There is no such thing as "outside" of an infinite system using periodic boundary conditions. http://www.gromacs.org/Documentatio

[gmx-users] Re: refcoord_scaling = com

2013-06-14 Thread maggin
Hi, Justin, At md step, protein run out of box, if it will better that set position constraint, let protein at center of box? Thank you very much! maggin -- View this message in context: http://gromacs.5086.x6.nabble.com/refcoord-scaling-com-tp5009141p5009150.html Sent from the GROMACS U