[gmx-users] about box size (III)
editconf option,-f input.gro -o output.gro -bt triclinic -box 4 4 6 is not recommended for a box size of size is 3,2,6 in x,y,z use -d 0.0 instead of -box 4 4 6 Read about it here: http://www.gromacs.org/documentation/reference/online/editconf.html I am assuming that you are using periodic boundary conditions and pressure scaling. In that case -box 4 4 6 will probably be fine, but be sure to visualize your system (you could use VMD). If you are unsure about periodicity (Tsjerk recently pointed out that what looks incorrect may in fact be correct) then I urge you to turn on the periodic representation in VMD and look at the system in this manner. Chris. ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
[gmx-users] about box size (III)
hi everyone since i met the problem several days ago,mang good friends help me !i thank them very much! and now,i explicit my problem and the solution ditailly,hope to help who will meet the same problem! my system is composed of two opesite monolayers,and the size is 3,2,6 in x,y ,z directions,first i set the box size 6x6x6,but the upper inverted,the i took the solution that provied by good friend chris.neale,i uesd the editconf option,-f input.gro -o output.gro -bt triclinic -box 4 4 6.just as that ! and ,my file can go smoothly! thanks chris very much! 小 资 女 人 的 最 爱 ( 图 ) 女 友 喜 欢 这 些 , 他 统 统 给 了 , 大 家 看 看 是 啥 ( 组 图 ) ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
