I have installed gromacs version 4.5.3. when I want to use pdb2gmx for generating .top and .gro files for 1000 argon atoms, in topology file I have seen another atom O with mass 1.48594e-41 as below I do not know what to do.I do not confront with such problems when I had 4.0.7 version of gromacs. please help me. also I have used gromos43a1 force feild.<br>
[ moleculetype ]<br>; Name nrexcl<br>Other_chain_A 3<br><br>[ atoms ]<br>; nr type resnr residue atom cgnr charge mass typeB chargeB massB<br>; residue 1 GAS rtp GAS q 0.0<br>
1 AR 1 GAS AR 1 0 1 ; qtot 0<br>; residue 2 GAS rtp GAS q 0.0<br> 2 O 2 GAS AR 2 0 1.48594e-41 ; qtot 0<br>; residue 3 GAS rtp GAS q 0.0<br>
3 O 3 GAS AR 3 0 1.48594e-41 ; qtot 0<br>; residue 4 GAS rtp GAS q 0.0<br> 4 O 4 GAS AR 4 0 1.48594e-41 ; qtot 0<br>; residue 5 GAS rtp GAS q 0.0<br>
5 O 5 GAS AR 5 0 1.48594e-41 ; qtot 0<br>; residue 6 GAS rtp GAS q 0.0<br> 6 O 6 GAS AR 6 0 1.48594e-41 ; qtot 0<br>; residue 7 GAS rtp GAS q 0.0<br>
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