Hi gmxions,
While I am using harmonic restraint for water and Zn, I am unable to do
so since the chain A "itp" file does not contain water, It shows error
as follow
-------------------------------------------------------
Program grompp, VERSION 3.3.1
Source code file: toppush.c, line: 1108
Fatal error:
[ file "Protein_ion_A.itp", line 5847 ]:
Atom index (2905) in bonds out of bounds (1-2900)
-------------------------------------------------------
How to restraint molecule which is present in out of this itp file ?
With thanks !
B.Nataraj
--
raja
[EMAIL PROTECTED]
--
http://www.fastmail.fm - Does exactly what it says on the tin
_______________________________________________
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
