[gmx-users] mirroring a trajectorie

2011-05-17 Thread Thomas Schlesier
Hi all, is it possible to mirror a trajectorie? I have done pulling simulations, where i first pulled two molecules apart and later used the pulled them together (starting form the last frame of the pulling-(apart)-simulation). Now want to calculate the rmsd of structures for the path. So i

Re: [gmx-users] mirroring a trajectorie

2011-05-17 Thread Tsjerk Wassenaar
#!/usr/bin/env python # Python compliant e-mail # Save it as xtcrev.py # Hi Thomas, # Here's a piece of python code that reverses a trajectory. ### xtcrev.py: ### #!/usr/bin/env python # Reverse an XTC trajectory # # (c)2011 Tsjerk A. Wassenaar # University of Groningen # from struct