pawan raghav wrote:
I am using Gromacs on windows hen executing pdb2gmx command, I got an
error i.e.
Fatal error: Atom HD1 in residue HISB 3 not found in rtp entry with 14
atoms while sorting atoms. May be different protonation state. Remove
this hydrogen or choose a different protonation state.
I want to know what is the error type and where is rtp entry.
Please read the manual. Also, consult the following:
http://www.gromacs.org/Documentation/Errors#WARNING.3a_atom_X_is_missing_in_residue_XXX_Y_in_the_pdb_file
If you want more descriptive advice, provide us with your actual command line,
snapshots of the .pdb file, etc.
-Justin
--
Pawan
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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