Dear Users Can Anybody help me to simulate a water box with nearly 14.45 A box size and approximately 93 water molecules. I have tried to simulate it using the 'spc' water model. I have done the SD and CG minimization step. Till that step it was fine, but when I tried to do MD then I got the following error message
*One of the box vectors has become shorter than twice the cut-off length or box_yy-|box_zy| or box_zz has become smaller than the cut-off.* Is there any well established method to simulate a small water box nearly of the size I have mentioned? It would be great if I could get it. Have a nice day. -- With Regards Monoj Mon Kalita Institute of Biophotonics<http://www.ym.edu.tw/biophotonics/eng_version/home.htm> National Yang-Ming University<http://nymu-e.web.ym.edu.tw/front/bin/home.phtml> Taipei, Taiwan -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
