[gmx-users] Force field parameters not known

Peter Stern peter.stern at weizmann.ac.il
Sat Feb 23 13:17:02 CET 2019


Hi,

It seems that you typed "cp-r" (no space) instead of "cp -r" (space between cp and -r).
"cp" is a Linux command, not Gromacs and as such, anything that starts with a "-" is part of a flag or option to the command.
There may be several such flags and they are space delimited.

Regards,
Peter

-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> On Behalf Of Matthew Stoodley
Sent: Thursday, February 21, 2019 12:59 PM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] Force field parameters not known

Hi,
I am currently trying to perform a simulation on a chemical molecular machine but whenever I try and do the pdb2gmx command and select a force field it comes up with the message 'the residue DVHY is not recognised'. From my understanding what I should do is to update the residue in the specific force field that I want to use. I have tried using the command line: 

cp-r $GMXLIB/residuetypes.dat  $GMXLIB/amber99sb.ff

as it says to use this on the gromacs website but it says the command is not recognised. I am using GROMACS 5.0.4.
Any help would be appreciated.Thanks,Matthew
-- 
Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.


More information about the gromacs.org_gmx-users mailing list