[gmx-users] Error - please help
sbellows1017 at gmail.com
Thu Sep 29 19:08:56 CEST 2011
I made a coordinate file of an iron complex and I tried to make the .top file by
g_x2top -f LFe.xyz -o LFE.top
and the error I got out was:
"Could only find a forcefield type for 66 out of 74 atoms"
where 4 out of those 8 are atoms attached to the metal and the metal itself.
I found a couple other people posted similar problems and it was suggested to
take a look at the .n2t file but I can't find it and if I were to find it I
wouldn't really know what to do. Does this sound like a case where I need to
alter that file and, if so, how do I do that? Or is there a different solution
to my problem?
Thank you in advance!
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