I know this question has been discussed a number of times on the
list, but almost everytime it has been discussed in reference to the
index file.
I am getting this error during grompp for the position restrained MD
even though I am not using any index file. The only groups I have are
solvent and protein and accordingly, there are two columns for these
two in the tau_t and ref_t fields in the pr.mdp file:
tau_t= 0.1 0.1
tc_grps= protein sol
ref_t= 300 300
my command is:
grompp -f pr.mdp -c test_b4pr.gro -p test.top -o test_em.tpr
In spite of this, the error is showing up again and again. The top
file also has a row only for protein and solvent.
Help would be gladly appreciated as I cannot think of any reason
since all the files look ok.
Thanks very much
Ashutosh Jogalekar
Emory University
_______________________________________________
gmx-users mailing list [email protected]
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
