Re: [gmx-users] g_dist problem in Implicit solvent

2013-05-15 Thread Justin Lemkul
On 5/15/13 7:15 PM, Tong Li wrote: Hi Justin, I really appreciate your reply! I finally solved the problem: change the machine… I have no idea why this happens, the machine I run simulation on is HP Z600, Ubuntu. The package is directly installed from the ‘Ubuntu software center’. This syste

Re: [gmx-users] g_dist problem in Implicit solvent

2013-05-15 Thread Justin Lemkul
Please keep the discussion on the mailing list. On 5/14/13 11:37 PM, Tong Li wrote: Hi Justin, Really appreciate your prompt reply! I got the inconsistence, the atom index in the original tpr file is different with the ones in xtc result file. However, I have no ideas what caused this… Some at

Re: [gmx-users] g_dist problem in Implicit solvent

2013-05-14 Thread Justin Lemkul
On 5/14/13 7:26 PM, Tong Li wrote: Dear All, I got this problem recently. I want to use g_dist to calculate the distance between two group in my simulation system. However, when I use the implicit solvent for simulation, g_dist went into this problem: Molecule in topology has atom numbers b

[gmx-users] g_dist problem in Implicit solvent

2013-05-14 Thread Tong Li
Dear All, I got this problem recently. I want to use g_dist to calculate the distance between two group in my simulation system. However, when I use the implicit solvent for simulation, g_dist went into this problem: Molecule in topology has atom numbers below and above natoms. I have used tpb