Re: [gmx-users] can not split pdb beyond 1019

2014-10-06 Thread Mark Abraham
Hi, Thanks, good report. Unfortunately, someone in prehistoric times implemented the functionality common to -sep and -split using the or operator... everywhere except closing the file. So -split will continue opening files until it runs out of file handles (so later on, files can't be opened), an

[gmx-users] can not split pdb beyond 1019

2014-10-06 Thread gromacs query
Hi All, I am trying to split my trajectory in single frame pdbs for some analysis using trjconv but it ends with an error after ouput 1019 pdbs. I tried with different version of gromacs (4.6.3 and 5.0) its the same error. trjconv -s ../em.tpr -f ../image_fitted.trr -o test.pdb -split 10 -b 4