[gmx-users] specbond recognised but not built

Hi all,   I am using gromacs 3.3.3, and have a specbond definition: CHU C3  2   CHV C4  2   0.2 CHU CHV This is recognised but not built: 7 out of 7 lines of specbond.dat converted successfully Special Atom Distance matrix:     CHU5   

Re: [gmx-users] specbond recognised but not built

Hi Grange, It recognizes the possibility of having a bond between these atoms. That's where the distance matrix comes in. But if a bond were made, you'd have a statement right after the distance matrix saying something like linking atom ... and atom It doesn't happen, and the reason is the

Re: [gmx-users] specbond recognised but not built

@gromacs.org Sent: Sunday, 29 June, 2008 5:50:22 PM Subject: Re: [gmx-users] specbond recognised but not built Hi Grange, It recognizes the possibility of having a bond between these atoms. That's where the distance matrix comes in. But if a bond were made, you'd have a statement right after