> I am having problem with preparing the input file for cpptraj.
>
> Keep getting error when executing the trajin command, stating that there is no such directory.
As Nhai points out-- appropriately-- there is too little information
provided for us to help out.
CPPTRAJ/ptraj have been in use for many years; the programs know how to
open up files, that is if they can find them. Moreover, these programs
are not out randomly searching (since many files could have the same name)
file systems. They look where they are told to look.
This sounds like lack of familiarity with UNIX. I do not recollect
CPPTRAJ stating "no such directory"; more likely it cannot open the file,
but regardless, the trajin is likely either pointing to a directory or
file that does not exist (as far as the trajin command is specifying).
The trajin command is very simple. It looks for the file as specified in
your current working directory. By default this is "./". If the file is
not in the current working directory, you need to understand the concept
of path. Either you need to specify the full path (i.e. something like˜
/user/XXX/mydirectory/whereIthinkIhaveMyfiles/project/projectX
or the relative path to the current working directory you are running in
(../../../somewhere/myprojectX). If you have no idea what I am talking
about, do a google search on pathnames unix and/or unix tutorial. This
list has been bombarded recently with these simple unix queries...
Please use Google; it can be your friend. Learn what "./", "../", "~/,
"/", "./././", ... mean.
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Received on Sun Oct 18 2015 - 22:00:03 PDT
