>1. First i am defining a box using editconf > >editconf -f 1st.gro -o box1.gro -bt cubic -box 6 -d 1.1 > >then for inserting the next peptide i am using genbox > >genbox -cp box1.gro -ci 2nd.gro -nmol 1 -o box2.gro -seed 24 -try 100 > >and same for the subsequent 3 peptides. > >So in this way when i am starting with first peptide i am giving -d option >in editconf for defining the distance between the peptide and the box but >i can not do this when i am inserting 2nd peptide and subsequent 3 >peptides.
>I am not very sure that if it is correct or not. Also i am not finding any >option in genbox for -d during insertion. When running genbox for the last time you can specify the length of the each box side '-box'. It will enlarge your box and add the corresponding solvent to this space. -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq., 4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban _______________________________________________ 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
