Re: [gmx-users] A question on execusion speed

2010-05-25 Thread Mark Abraham
- Original Message - From: "Justin A. Lemkul" Date: Wednesday, May 26, 2010 3:16 Subject: Re: [gmx-users] A question on execusion speed To: Discussion list for GROMACS users > > > Paymon Pirzadeh wrote: > >Hello, > >I have question regarding the ex

Re: [gmx-users] A question on execusion speed

2010-05-25 Thread Justin A. Lemkul
Paymon Pirzadeh wrote: Hello, I have question regarding the execution time of a trajectory. I used to run my trajectory at 265K or 275K and at the end of the log file the speed was reported as e.g. 1.18 ns/day. Recently, I changed the temperature to 288K and now my simulation is not finished in

[gmx-users] A question on execusion speed

2010-05-25 Thread Paymon Pirzadeh
Hello, I have question regarding the execution time of a trajectory. I used to run my trajectory at 265K or 275K and at the end of the log file the speed was reported as e.g. 1.18 ns/day. Recently, I changed the temperature to 288K and now my simulation is not finished in the assigned wall time (24