[gmx-users] gmx_mtop_atomlookup_settle_init called without settles
gromacs query
gromacsquery at gmail.com
Mon Mar 2 17:46:07 CET 2015
Hi,
I am using g_membed (for CG) to insert peptide with following steps:
1) grompp generates a tpr file; with no issues
2) g_membed generates membed.dat; no issues
3) lastly mdrun gives this error:
gmx_mtop_atomlookup_settle_init called without settles
Justin has suggested this may arise due to absence of water in the system
(link below). My system has CG water (named W). I tried with and without
waters but still ending with this error.
(
http://t113174.science-biology-gromacs-user.biotalk.us/error-while-trying-to-create-a-membrane-protein-system-t113174.html
)
I would appreciate any help.
Thanks
JIom
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