yudaqi wrote:
Hello gmx-users:
When using gmxcheck to compare the bond length in .tpr files and .trr
files, I get the following long list error:
Distance between atoms 1 and 2 is 0.100, should be 0.010
Distance between atoms 1 and 3 is 0.101, should be 0.010
Distance between atoms 1 and 4 is 0.100, should be 0.010
Distance between atoms 1 and 5 is 0.146, should be 0.022
......
I have searched the maillists in the web site of gromacs, and found the
same problems has been issued by other users. However, I can not find
detailed explanations about this.
So I wonder why the bond length should be of the order of 0.01 nm?
I fixed it in CVS. Will be in 3.3.2
Thank you very much.
YuDaqi
_______________________________________________
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
--
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
_______________________________________________
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
