Re: [gmx-users] Re: Use pull code to restrain the COM

2013-08-09 Thread Justin Lemkul
On 8/9/13 12:48 PM, Bin Liu wrote: Hi Justin, Thank you for your quick reply. In Setting A, grompp reports Pull group natoms pbc atom distance at start reference at t=0 0 0 0 1 14623185-0.000 -0.000 -3.268

[gmx-users] Re: Use pull code to restrain the COM

2013-08-09 Thread Bin Liu
Hi Justin, Thank you for your quick reply. In Setting A, grompp reports Pull group natoms pbc atom distance at start reference at t=0 0 0 0 1 14623185-0.000 -0.000 -3.268 6.668 6.693 6.492 The values of referen