Re: [gmx-users] comm-mode = Angular

2006-04-26 Thread Tsjerk Wassenaar
gh EH14 4AS Email: [EMAIL PROTECTED] Phone: +44(0)1314518265 Fax : +44(0) 131 451 3009   From: Tsjerk WassenaarSent: Wed 26/04/2006 12:05 PMTo: Discussion list for GROMACS usersSubject: Re: [gmx-users] comm-mode = Angular Hi Abu,In fact, I have it implemented in two versions (3.1.

RE: [gmx-users] comm-mode = Angular

2006-04-26 Thread Naser, Md Abu
  From: Tsjerk WassenaarSent: Wed 26/04/2006 12:05 PMTo: Discussion list for GROMACS usersSubject: Re: [gmx-users] comm-mode = Angular Hi Abu,In fact, I have it implemented in two versions (3.1.4 and 3.2.1), but haven't contributed it to the official code yet. At this point I don&#

Re: [gmx-users] comm-mode = Angular

2006-04-26 Thread Tsjerk Wassenaar
MAIL PROTECTED] Phone: +44(0)1314518265 Fax : +44(0) 131 451 3009   From: David van der SpoelSent: Tue 25/04/2006 7:32 PMTo: Discussion list for GROMACS usersSubject: Re: [gmx-users] comm-mode = Angular Naser, Md Abu wrote:> Hi All,> > Dose anyone know any literature

RE: [gmx-users] comm-mode = Angular

2006-04-26 Thread Naser, Md Abu
+44(0)1314518265 Fax : +44(0) 131 451 3009   From: David van der SpoelSent: Tue 25/04/2006 7:32 PMTo: Discussion list for GROMACS usersSubject: Re: [gmx-users] comm-mode = Angular Naser, Md Abu wrote: > Hi All, > > Dose anyone know any literature regarding comm-mode = Angular o

Re: [gmx-users] comm-mode = Angular

2006-04-25 Thread Jochen Hub
Naser, Md Abu wrote: Hi All, Dose anyone know any literature regarding comm-mode = Angular option? This works,however, only with simulations in vacuum. In a water box you get overlaps at the box boundaries from angular rotations done by the "comm-mode = Angular" option resulting in lincs w

Re: [gmx-users] comm-mode = Angular

2006-04-25 Thread David van der Spoel
Naser, Md Abu wrote: Hi All, Dose anyone know any literature regarding comm-mode = Angular option? it just sets the overall angular momentum to zero. With regards, Abu Naser School Of Life Sciences Heriot-Watt University Edinburgh EH14 4AS Email: [EMAIL PROTECTED]

[gmx-users] comm-mode = Angular

2006-04-25 Thread Naser, Md Abu
Hi All,   Dose anyone know any literature regarding comm-mode = Angular option? With regards, Abu Naser School Of Life Sciences Heriot-Watt University Edinburgh EH14 4AS Email: [EMAIL PROTECTED] Phone: +44(0)1314518265 Fax : +44(0) 131 451 3009