Re: [gmx-users] using editconf to duplicate membrane

2009-07-07 Thread Tsjerk Wassenaar
Hi Bing, You do want to use genconf for that (the way you use it, editconf scales the coordinates). genconf -f xxx.pdb -nbox 2 2 1 -o zzz.pdb The thing to make sure is that all molecules are whole before processing them with genconf. The other possibility is to use editconf to translate a few co

[gmx-users] using editconf to duplicate membrane

2009-07-06 Thread Bing Bing
Dear all, I want to extend the membrane into 512 POPC with the starting structure of 128 POPC. I 've used :- editconf -f xxx.pdb -scale 2 2 1 -o zzz.pdb. I noticed that the pdb file that generated by editconf have only 1 set of 128 popc. Using vmd, the extended structure is in pieces, the no bond b