Omer, The situation is as follows. I simulate some pore (located at the center of the box) and solvent is both inside and outside the pore. To get a "right" density of solvent inside I make a system and let it relax itself. Then I want to stop migrating solvent inside and outside (inside an outside is intact!), so the easiest way is to reduce one side of the box to be equal to the length of my pore (and re-center the pore of course).
genbox and editconf can change the box parameters but they don't want to kill the solvent which appears to be already not in the box after the manipulations. OM> What is the reason for shrinking the box? OM> If it is for technical reasons, for example - nicer visualization etc`, then perhaps this could be done OM> manually. OM> If you plan to use the smaller box later, then maybe you could do some part of high pressure simulation, OM> to reduce box size while keeping it physical. It seems that high pressure simulation reduces all side lengths (but I need to reduce only the selected one). Am I wrong? Vitaly -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq.,4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban tel.: +38-097-8259698 _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
