[gmx-users] Re: CHARMM traj.

Nuno Ricardo Loureiro Ferreira nunolf at ci.uc.pt
Tue Jul 22 17:02:01 CEST 2003

Hello Phuong

About the dcd convertion.
Do a search in this mail list (last 2,3 months I think). I posed a 
similar question.

I've done MD simulations with NAMD, that uses the same dcd output than 
CHARMM. In the NAMD homepage they talk about a conversor called trio, 
but I never was successful to read the gro file produced into gmx.
Read the notes I posted here.
If you manage to resolve this, please share it with us.

About the pdb's.
Try to read the dcd with VMD, another program from the NAMD group.
There, you can save the dcd into a single pdb or to multiple pdb's.
You can also choose to save every x frames.
Hope it helps.


More information about the gromacs.org_gmx-users mailing list