Re: [gmx-users] using nopbc is not equal to using pbc with big box dimensions

2013-12-02 Thread Mark Abraham
Hi, We could guess, or maybe you could share what was in your two .mdp files and how they differ ;-) E.g. report the diff here and upload the originals to an online file-sharing service and link them. Mark On Mon, Dec 2, 2013 at 11:46 PM, Golshan Hejazi golshan.hej...@yahoo.comwrote: Hello,

Re: [gmx-users] using nopbc is not equal to using pbc with big box dimensions

2013-12-02 Thread Dr. Vitaly Chaban
The fact that images are separated by a distance exceeding the cutoff, does not mean that they do not interact electrostatically. I hope the results are not much different... Dr. Vitaly V. Chaban On Mon, Dec 2, 2013 at 11:46 PM, Golshan Hejazi golshan.hej...@yahoo.comwrote: Hello, I