Dear Berk, der GMXers, On Apr 23, 2013, at 2:54 PM, Stefan Kesselheim <[email protected]> wrote:
> The temperature is 300.6, target temperature was 300. That should be fine. I > did check weaker fields and weaker thermostat coupling. Everything stayed > optimally consistent, within 4.5.5, however incompatible with 4.6.2. > I'm rerunning with cutoffs=1.4 now. I should get results by tomorrow. Now results are there and without twin-range I obtain consistent results between the GMX-versions. I'm now switching on twin-range and rerunning to check if the error does reappear. I don't know what would be better: Either I did something wrong in a very stupid way, or ... Thanks for your patience Stefan -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
