Re: [gmx-users] Warning: atom names in CG topology file and CG pdb file do not match

2011-02-06 Thread Justin A. Lemkul
Faezeh Kargar wrote: Dear All I searched my problem in users mailing list but I could not find the answer. please help me with this. I am learning the CG Martini force filed using the tutorial "protein in water" for protein ubiquitin. so I did the things like below: 1. awk -f atom2cg_v2.1.a

[gmx-users] Warning: atom names in CG topology file and CG pdb file do not match

2011-02-06 Thread Faezeh Kargar
Dear All I searched my problem in users mailing list but I could not find the answer. please help me with this. I am learning the CG Martini force filed using the tutorial "protein in water" for protein ubiquitin. so I did the things like below: 1. awk -f atom2cg_v2.1.awk 1UBQ.pdb > 1UBQ-cg