Re: [gmx-users] Rcut-off etc.

2010-07-27 Thread Mark Abraham
- Original Message - From: Sai Pooja Date: Friday, July 16, 2010 9:06 Subject: [gmx-users] Rcut-off etc. To: Discussion list for GROMACS users > Hi,> > NOTE 4 [file /fs/home/sm868/llamapooja/ffsb/Setup/nvt.mdp]:> The sum of the > two largest charge group radii (0.51

[gmx-users] Rcut-off etc.

2010-07-15 Thread Sai Pooja
Hi, NOTE 4 [file /fs/home/sm868/llamapooja/ffsb/Setup/nvt.mdp]: The sum of the two largest charge group radii (0.510406) is larger than rlist (2.00) - rvdw (2.00) NOTE 5 [file /fs/home/sm868/llamapooja/ffsb/Setup/nvt.mdp]: The sum of the two largest charge group radii (0.510406) i