Re: [gmx-users] Analysing of the trajectory using editconf

It could be done? Thanks for help, James -- _ Sebastian Breuers Tel: +49-221-470-4108 EMail: breue...@uni-koeln.de Universität zu Köln University of Cologne Department für Chemie

Re: [gmx-users] g_helixorient

-- _ Sebastian Breuers Tel: +49-221-470-4108 EMail: breue...@uni-koeln.de Universität zu Köln University of Cologne Department für Chemie Department of Chemistry Organische Chemie Organic Chemistry Greinstraße 4 Greinstraße 4 Raum 325

[gmx-users] mdrun crashes with 'One or more interactions were multiple assigned in the domain decompostion'

-- _ Sebastian Breuers Tel: +49-221-470-4108 EMail: breue...@uni-koeln.de Universität zu Köln University of Cologne Department für Chemie Department of Chemistry Organische Chemie

Re: [gmx-users] mdrun crashes with 'One or more interactions were multiple assigned in the domain decompostion'

Hey, thank you both for the response. I at least could restart the system. And it is running beyond the crashing point. Keep the fingers crossed. :) Kind regards Sebastian Am 12.08.2011 15:41, schrieb lina: On Fri, Aug 12, 2011 at 7:55 PM, Sebastian Breuers breue...@uni-koeln.de wrote

Re: [gmx-users] g_covar g_anaeig problems

with a Segmentation fault meaning it does not properly handle its memory. Nonetheless thanks again for the hydrogen advice. Had'nt really thought about it before. Kind regards Sebastian Am 07.09.2010 03:44, schrieb Mark Abraham: - Original Message - From: Sebastian Breuers breue...@uni-koeln.de

Re: [gmx-users] g_covar g_anaeig problems

' oder 'nan' for the Schlitter entropy calculation - even with additional/maximum input. Why? Thanks a lot! Awa -- _ Sebastian Breuers Tel: +49-221-470-4108 EMail: breue...@uni-koeln.de Universität zu Köln

Re: [gmx-users] Replica Exchange MD on more than 64 processors

by another issue than missing memory. I am wondering if there is anyone else who is still facing the same problem or has already found a solution for this issue. Kind regards Sebastian -- _ Sebastian Breuers

Re: [gmx-users] itp file

/index.php?title=Download_%26_Installation/User_contributions/Molecule_topologies site? Can anyone look at this matter? Regards, Anirban -- _ Sebastian BreuersTel: +49-221-470-4108 EMail: breue...@uni

[gmx-users] Replica Exchange MD on more than 64 processors

else who is still facing the same problem or has already found a solution for this issue. Kind regards Sebastian -- _ Sebastian BreuersTel: +49-221-470-4108 EMail: breue...@uni-koeln.de Universität

[gmx-users] Replica Exchange MD on more than 64 processors

if there is anyone else who is still facing the same problem or has already found a solution for this issue. Kind regards Sebastian -- _ Sebastian BreuersTel: +49-221-470-4108 EMail: breue...@uni-koeln.de