karan syal wrote:
hey..i am encountering the following error using grommp :
------------------------------
Program grompp, VERSION 3.3
Source code file: confio.c, line: 709
Fatal error:
Invalid line in protein_water_urea.gro for atom 3698:
3.38710 3.38710 3.38710
-------------------------------------------------------
the corresponding co-ordinates in gro file are:
1170SOL OW 3696 2.721 3.236 1.878
1170SOL HW1 3697 2.675 3.251 1.966
1170SOL HW2 3698 2.765 3.321 1.848
------------------------------------------------------------------------
Read section 5.6.6 of the manual, and consider the first few lines, the
last line and the number of lines in your .gro file.
Mark
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
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
