[gmx-users] grompp_d fatal error in Amber FF

[Nash, Anthony]

Hi All,

My apologies, false alarm. 

The issue was with specifying the forcefield FILE (NOT the directory) in my topology file. 

Thanks
Anthony

Dr Anthony Nash
Department of Chemistry
University College London
________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of Nash, Anthony [a.nash at ucl.ac.uk]
Sent: 07 March 2015 08:05
To: gmx-users at gromacs.org
Subject: [gmx-users]  grompp_d fatal error in Amber FF

Hi all,

Gromacs ver 5.0.4 - no forcefield modification (although I had, but changed back for testing purposes). Installed on a brand new machine: this is my laptop's first grompp.

I was trying to inflate and deflate a bilayer using InflateGro but it through up a fatal error. I removed everything to do with that code and ran a regular grompp with a very sparse .mdp file.


I'm getting the following error:

Program grompp_d, VERSION 5.0.4
Source code file: /Users/acnash/Gromacs/gromacs-5.0.4/src/gromacs/gmxpreprocess/topio.c, line: 633

Fatal error:
Unknown error - File amber99sb-ildn.ff, line 0
Last line read:
' '

The matching code for this is:
do
 626     {
 627         status = cpp_read_line(&handle, STRLEN, line);
 628         done   = (status == eCPP_EOF);
 629         if (!done)
 630         {
 631             if (status != eCPP_OK)
 632             {
 633                 gmx_fatal(FARGS, cpp_error(&handle, status));
 634             }

So obviously it hasn't read something in.

Anthony thoughts.

Thanks
Anthony



--
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.