[gmx-users] about specbond.dat

[David van der Spoel]

Rui Li wrote:
> Dear all,
> 
> In specbond.dat, there are five entries. what meanings they are?
> 5
> CYS     SG      1       CYS     SG      1       0.2     CYS2    CYS2
> CYS     SG      1       HEME    FE      2       0.25    CYS2    HEME
> CYS     SG      1       HEME    CAB     1       0.2     CYS2    HEME
> CYS     SG      1       HEME    CAC     1       0.2     CYS2    HEME
> HIS     NE2     1       HEME    FE      1       0.2     HIS1    HEME
> 
> I want to add special bond to specbond.dat.How can I do this , can you give me an
> example?

the examples are above!
res atom nbonds res atom nbonds bondleng res_newname res_newname

check the archives
> 
> Thanks in advance!
> 
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> 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 gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++