Hi Nitu,
Check the atoms and their order in the pdb and the rtp file and try to
find out which match and which miss.
> C2 amber99_2 0.56770 25
> O amber99_41 -0.58810 26
I place my bet on this one.
Cheers,
Tsjerk
--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
B
nitu sharma wrote:
Dear all ,
I am doing simulation of DNA-protein complex.
Is anybody have idea about .hdb of DNA becoz in mannual
nothing is wrritten about DNA hydrogen database .I have edited The
database like this-
ADE 9
2 6 H5* C5* C4* O
http://wiki.gromacs.org/index.php/Errors#Residue_.27XXX.27_not_found_in_
residue_topology_database
Catch ya,
Dr. Dallas Warren
Department of Pharmaceutical Biology and Pharmacology
Pharmacy and Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.war...@pharm.
nitu sharma wrote:
Dear all
I am getting problem in running pdb2gmx command on
DNA_protein file . The prblem is
Program pdb2gmx, VERSION 4.0.3
Source code file: resall.c, line: 426
Fatal error:
Residue 'T' not foun
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