Hi Giacomo,
you are using the flag -c twice. Check your input line in the shell. See mdrun
-h for more information.
It should be something like:
mdrun -s file.tpr -o file.trr -c file.pdb
probably you have
mdrun -s file.tpr -o file.trr -c -c file.pdb
-------------------------------^
a typo error
Regards
Andrea
Giacomo Bastianelli wrote:
Hi David,
is there an error in the souce code file????
ps.sorry if the question is stupid but I am very
naive to bioinformatic as well...
Giacomo
David van der Spoel wrote:
Giacomo Bastianelli wrote:
Hi Tsjerk,
I have just fixed the problem of cyclic (manually deleted some bonds
that gromacs added...), I got everything ready for the minimization
step after genbox.
I run it and it says:
Program grompp, VERSION 3.3
Source code file: statutil.c, line: 549
Fatal error:
Double command line argument -c
Is there anything wrong with my inputs?
thanks a lot
yes. it is exactly what it says.
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the www
interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
-------------------------------
Andrea Spitaleri PhD
Dulbecco Telethon Institute
c/o DIBIT Scientific Institute
Biomolecular NMR, 1B4
Via Olgettina 58
20132 Milano (Italy)
http://biomolecularnmr.ihsr.dom/
-------------------------------
********************************************************************
Sostieni la ricerca del San Raffaele con il 5permille!
E' SEMPLICE E NON COSTA NULLA.
Basta indicare nell'apposito riquadro della dichiarazione dei
redditi ("Ricerca sanitaria")
il codice fiscale della
Fondazione Centro S. Raffaele del Monte Tabor:
03 06 42 80 153 e ricordarsi di firmare.
Se vuoi saperne di piu' scrivi a [EMAIL PROTECTED] o vai sul sito
www.5xmille.org
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
