Re: Re: [gmx-users] basic units: acceleration conflict (revision)

2008-06-16 Thread CIHAN NADIR KAPLAN
Dear Nizamov, Thanks for this reply, now it makes more sense. Best, Nadir -Original Message- From: Nizamov Shawkat <[EMAIL PROTECTED]> To: Discussion list for GROMACS users Date: Mon, 16 Jun 2008 09:56:22 +0500 Subject: Re: [gmx-users] basic units: acceleration conflict (re

Re: [gmx-users] basic units: acceleration conflict (revision)

2008-06-15 Thread Nizamov Shawkat
Let me summarize the conflict in this example: The acceleration to be applied corresponds to 2x10^12 meter/(second squared) (in words: two times ten to twelve) which means in vacuum that water molecule may gain two times ten to twelve meter/second velocity at every second (e.g. for dilute cas

Re: [gmx-users] basic units: acceleration conflict (revision)

2008-06-15 Thread Tsjerk Wassenaar
water molecule which goes with a velocity of two kilometer per second? > > Such results are everywhere (also in journals) ... > > I still hope that I underestimate something or don't take an important point > into account. Please help... > > Best, > Nadir > > -O

Re: [gmx-users] basic units: acceleration conflict (revision)

2008-06-14 Thread CIHAN NADIR KAPLAN
portant point into account. Please help... Best, Nadir -Original Message- From: David van der Spoel <[EMAIL PROTECTED]> To: Discussion list for GROMACS users Date: Sat, 14 Jun 2008 16:13:03 +0200 Subject: Re: [gmx-users] basic units: acceleration conflict (revision) CIHAN NADIR

Re: [gmx-users] basic units: acceleration conflict (revision)

2008-06-14 Thread David van der Spoel
CIHAN NADIR KAPLAN wrote: There has been some typos. I mean, such an acceleration would result in unphysical velocities since the relativistic effects are not accounted. The passage in question should be as follows: "When one wants to accelerate a group, he should include it in the *.mdp file