Running NAMD can be sometimes tricky. It depends on number of factors.. For example, (1) have you compiled your own charmrun and namd or you are using precompiled one (2) which mode you are using SMP, MPI, etc. (3) are you running on a single node or multiple nodes. Did you tried running with charmrun?

Well, the error message is somewhat clear. The file minimize.namd does either not exist or you have no rights to read it. I'd expect it to be the 1st option.

Gourav Shrivastav i have compiled a standard namd config file with all the parm file erquired inside the directory. also i am not using mpi hence i have not given any processor +p option.

no i haven't and i have no idea how to run with charmrun.

now i have made some changes and the system says there is error in configuration file. earlier it was unable to access config file.

can you help..

We need the error message regarding the errors in the configuration file.

Thank you Norman Geist for sucha prompt reply. i am fairly new to this and hence solicit your help. thanks in anticipation. here`s the output file..

Comment, so text not to be interpreted as commands are indicated by a #. Somehow the line starting with "Langevin dynamics balances ..." doesn't have the # in front.

I guess Norman has already figured it out.

Thanks Gourav Shrivastav and Norman Geist

Hi everyone, mine is a similar problem but instead of charmm error my own is showing "cannot specify both an initial temperature and a velocity file". Please help me out

Thanks