Hi all,
I have a problem with position-restrained (pr) dynamics of a charged residue in
a water box. Up to the position-restrained step, the method worked well;
however, it gave the following error in the pr step:
Fatal error:
number of coordinates in coordinate file (lysine_b4pr.gro, 767)
does not match topology (lysine.top, 0)
I could not understand the error because the lysine.top file has already
contained the appropriate numbers of atoms defined for protein, ion, and
solvent molecules. Moreover, I used the same topology file in the preceding
step and it worked. So, what may be the problem?
Thanks in advance!
Ozge Engin
_______________________________________________
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
