<html><head><meta http-equiv=Content-Type content="text/html; charset=iso-8859-1"><META name="Author" content="Novell GroupWise WebAccess"></head><body style='font-family: Tahoma, sans-serif; font-size: 13px; '>SMA.<br><br>>>> Joćo Henriques<joao.henriques.32353@gmail.com> 07.09.11 13.09 Uhr >>><br>Why don't you read the papers associated with the link everyone keeps<br>sending you!!!<br>Stop it with the autistic behavior.<br><br>http://www.gromacs.org/Documentation/How-tos/Constant_pH_Simulation<br><br>Here is the main paper regarding the CpH-MD method I'm currently using:<br><br>http://jcp.aip.org/resource/1/jcpsa6/v117/i9/p4184_s1<br><br>Here's a tip: searching google scholar a little before emailing<br>everyone in the list should prove useful.<br><br>Cheers,<br><br>On Wed, Sep 7, 2011 at 11:01 AM, Emanuel Peter<br><Emanuel.Peter@chemie.uni-regensburg.de> wrote:<br>> At first I would like to say that I deeply apologize for<br>> the cave-like things I have said. I again say, that this<br>> was not the field I am deeply involved.<br>> From Gerrit I got a banana.<br>> For this guy, I am a cave-man.<br>><br>> Thanks, for being such ready for open discussion.<br>><br>> I did not tell that I do not want to be wrong.<br>> Questions, which are included in my doubts:<br>><br>> Generalized forces and averages for H+ interchange ?<br>> Comparison with titration experiments ?<br>> Is there any experimental evidence for the rates of<br>> interchange ?<br>> Are simulation-times or the periods of interchange at<br>> any time realistic?<br>> Are equilibria sampled well, with such interchanges,<br>> or are there jumps in free energy by this interchange ?<br>> Why is there no free H+ ?<br>><br>> Thanks for your kind and very constructive criticisms.<br>><br>> I would appreciate, if this so-called discussion will<br>> find an end.<br>> I am deeply depressed about such comments and<br>> I will not take part in any users-discussion in the future.<br>> It makes no sense, because talking like this expresses<br>> the way on how science is done today. Repelling that<br>> person, who does not walk the common way.<br>> And:<br>><br>> Maybe I have lived in a cave, but someone like you, who answers in<br>> such a way, IS A CAVEMAN !<br>><br>>>>> Joćo Henriques<joao.henriques.32353@gmail.com> 07.09.11 11.30 Uhr >>><br>> There is no problem in being wrong. The problem is that he wants to be<br>> wrong. At least 4 different researchers gave constructive input and<br>> this subject keeps hitting the same key. I've always been told that<br>> worse than not knowing, is not wanting to know.<br>><br>> Still, I apologize for my outburst.<br>><br>> Best regards,<br>><br>> On Wed, Sep 7, 2011 at 1:54 AM, Mark Abraham <Mark.Abraham@anu.edu.au><br>> wrote:<br>>> On 7/09/2011 3:53 AM, Joćo Henriques wrote:<br>>>><br>>>> I guess someone has been living in a cave for the past decade or so...<br>>><br>>> Please keep contributions to the mailing list constructive :-) Everyone's<br>>> been wrong before!<br>>><br>>> Mark<br>>> --<br>>> gmx-users mailing list gmx-users@gromacs.org<br>>> http://lists.gromacs.org/mailman/listinfo/gmx-users<br>>> Please search the archive at<br>>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!<br>>> Please don't post (un)subscribe requests to the list. Use the www<br>>> interface<br>>> or send it to gmx-users-request@gromacs.org.<br>>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists<br>>><br>><br>><br>><br>> --<br>> Joćo Henriques<br>> --<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://lists.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at<br>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the<br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists<br>><br>> --<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://lists.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at<br>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the<br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists<br>><br><br><br><br>-- <br>Joćo Henriques<br>--<br>gmx-users mailing list gmx-users@gromacs.org<br>http://lists.gromacs.org/mailman/listinfo/gmx-users<br>Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!<br>Please don't post (un)subscribe requests to the list. Use the<br>www interface or send it to gmx-users-request@gromacs.org.<br>Can't post? Read http://www.gromacs.org/Support/Mailing_Lists<br></body></html>