[gmx-users] grompp -f em.mdp -c speptide.pdb -p \#spetide.top.1#\ -o speptide_empdb.tpr
leafyoung at yahoo.com
Thu Aug 16 04:04:47 CEST 2007
On 8/16/2007 9:53 AM, Mark Abraham wrote:
> huifang liu wrote:
>> I typed this command: grompp -f em.mdp -c speptide.pdb -p
>> \#spetide.top.1#\ -o speptide_em.tpr
>> It responded to me like this:Invalid command line argument:
>> I am a new -learner.Can you tell me where the problem is.
> Backslashes are used to "escape" characters to which your shell would
> otherwise assign a special meaning. Depending on your shell "#" might
> start a comment, so to prevent that, you use a backslash before it, in
> order to let the shell know you really want that character. Putting a
> backslash before a space doesn't do you any good...
On top of Mark's point, many programs in GROMACS uses suffix to
determine the file type. To use those files with name beginning #, you
shall remove the leading and trailing # in the filename by renaming.
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/search before
> Please don't post (un)subscribe requests to the list. Use the www
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
More information about the gromacs.org_gmx-users