[gmx-users] (no subject)
dpinis1 at lsu.edu
Sun Jun 6 00:12:06 CEST 2004
Has anyone tried to import glycerol and run Gromacs.When I am trying to
import glycerol pdb file and run I was getting the following error.
Fatal Error:Atom AO1 in residue NDPH 1 not found in rtp entry with 56 atoms
while sorting atoms.
I used the function -ignh along with pdb2gmx still I was getting this error
for this.I used
pdb2gmx -ignh -f 1A4I.pdb -p a4i.top -o a4i.gro for Glycerol I was getting
the above metioned error.When I used -ignh for DMPC,the code was running
but for glycerol it was giving me a problem.
please someone let me know this,please tell me where I am making a
mistake,and how to sort out this problem.
Thank you all in advance.
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