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

t = 3000. How 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 D

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

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 wrote: Dear all, searching

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

stian -- _____ 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 C

Re: [gmx-users] g_covar & g_anaeig problems

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 Date: Tu

Re: [gmx-users] g_covar & g_anaeig problems

mation but an 'inf' 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: breu

Re: [gmx-users] itp file

cs.org/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.

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

sing 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 BreuersTel: +49-221-470

[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...@u

[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...@u