[gmx-users] specbond # bonds

2008-06-29 Thread Grange Hermitage
Hi, does the following specbond.dat line build a double bond between the two atoms?  CHU    C3      2      CHV    C4      2      0.2    CHU    CHV What would happen if the first number was 2 but the second number was 1 ? Would two C4s need to be at the right distance away from the one C3? Thanks,  

Re: [gmx-users] specbond # bonds

2008-06-29 Thread Justin A. Lemkul
I suggest consulting the wiki: http://wiki.gromacs.org/index.php/specbond.dat -Justin Grange Hermitage wrote: Hi, does the following specbond.dat line build a double bond between the two atoms? CHUC3 2 CHVC4 2 0.2CHUCHV What would happen if the first