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-boun...@maillist.sys.kth.se
[gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Nash, Anthony
[a.n...@ucl.ac.uk]
Sent: 07 March 2015 08:05
To: gmx-us...@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
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