Re: [gmx-users] improper .gro file format generated by trjconv

2016-05-17 Thread Mark Abraham
Hi, That looks like a bug in trjconv - I presume you wrote your xtc file with fairly low precision, and the .gro-writing routines aren't robust enough to handle that possibility. If so, you can't fix the problem, but maybe you can instead write to .pdb format. Also, you should be considering other

[gmx-users] improper .gro file format generated by trjconv

2016-05-16 Thread Esra Kaçar
Dear gromacs users; I am trying to perform micelle clustering analysis as described in gromcas website: 1. use trjconv -pbc cluster to obtain a single frame that has all of the lipids in the unit cell. This must be the f