[gmx-users] Atomtype '15.9994' not found

[hazizian]

Hi
I am doing md with protein-LYS-PLP (pyridoxal phosphate) which attach 
covalently. I could generate the DRG.itp, DRGPH.pdb files using PRODRG 
server. then merge DRG.itp in to the topol.top and DRGPH.pdb into the 
protein pdb file. When I use the grompp step before the energy minimization 
I encounter a problem:
 
-------------------------------------------------------
Program grompp_mpi, VERSION 3.3.3
Source code file: toputil.c, line: 61

Fatal error:
Atomtype '15.9994' not found!
-------------------------------------------------------

What should I do to eliminate the error?
Thank you in advance
 







--
Tehran University of Medical Sciences
www.tums.ac.ir


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