[gmx-users] Re: CHARMM traj.
Nguyen Hoang Phuong
phuong at theochem.uni-frankfurt.de
Tue Jul 22 17:12:01 CEST 2003
On Tue, 22 Jul 2003, Nuno Ricardo Loureiro Ferreira wrote:
> 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.
thank you very much. I will try and come back to you.
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