VMD-L Mailing List

From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Sat Jul 04 2009 - 11:17:44 CDT

Dear VMD community,

I have used the NAMDenergy plugin (in the text mode) successfully in the
past with VMD 1.8.5 on Linux. However, when I try to run the same (using the
exact same input files) in VMD 1.8.6, I am getting an error. I am using it
for NAMD generated CHARMM-type dcd trajectories.
I am copying part of the error message here:

====================================
Info) Finished with coordinate file nve02.dcd.
Info) Opened coordinate file namd-temp.pdb for writing.
PARS: /home/tw/sengupta/neela/from-w1/par_top/all.par
/home/tw/sengupta/neela/from-w1/par_top/all.par
Info) Opened coordinate file namd-temp.pdb for writing.
Info) Opened coordinate file namd-temp.dcd for writing.
namdEnergy)
Computing interaction energy between:
namdEnergy) segname WAT and resid 1
namdEnergy) and
namdEnergy) protein

namdEnergy) Running:
namdEnergy) namd-temp.namd

*couldn't execute "": no such file or directory*
Info) Finished with coordinate file namd-temp.pdb.
Info) Finished with coordinate file namd-temp.pdb.
Info) Finished with coordinate file namd-temp.dcd.
===================================

I have highlighted the problematic part of the message. I tend to think this
has more to do with the VMD version than the platform (otherwise the temp
pdb and dcd files would not even be created).

Any help would be greatly appreciated.

Thanks,
Neela
(Neelanjana Sengupta)