[gmx-users] combine two gro files

[Nur Syafiqah Abdul Ghani]

Hi all,

I just finished my simulation protein in mix solvent with the file
name md.gro but when i analyze the protein it seems not stable yet
therefore i have to extend it about 2ns more.The previously i used
20ns for my simulation.So the extended oneis name md_extend.gro and
also the others file, trr tpr.

The command that i used to extend the simu is like below :
tpbconv -f md.trr -s md.tpr -o md_extend.tpr -extend 2000
mdrun -v -cpi md.cpt -deffnm md_extend

>From what I understand the new file that created after extend is only
2ns second.right?
How i can combine the gro file from the original and the extended one?
Because the xtc trr and also edr file i combine it by using comand
trjcat and eneconv.

The trjcat cant combine the gro file because the error stated :
Fatal error:
Can not write a gro file without atom names

So anyone facing this problems.?I already search in previous problem
but they said convert the gro to pdb?then use command cat..can i use
that?

--
Best Regards,

Nur Syafiqah Abdul Ghani,
Theoretical and Computational Chemistry Laboratory,
Department of Chemistry,
Faculty of Science,
Universiti Putra Malaysia,
43400 Serdang,
Selangor.
alternative email : syafiqahabdulghani at gmail.com