<div>dear Mark</div>
<div> </div>
<div>my command is: pdb2gmx -f c.pdb -p c.top -o c.gro .</div>
<div> </div>
<div>I think what I&#39;m doing is clear. also there is GLY 1 :</div>
<div> </div>
<div>pdb file of GLY 1                      <br>                                      <br>1  N  NGLY  1                         <br>2  CA NGLY  1                         <br>3  C  NGLY  1                         <br>4  O  NGLY  1                         <br>
5 1H  NGLY  1                         <br>6 2HA NGLY  1                         <br>7 2H  NGLY  1                         <br>8 3H  NGLY  1                         <br>9 1HA NGLY  1                         <br>                                      <br>
rtp file of GLY 1                      <br>                                      <br>[ NGLY ]                              <br> [ atoms ]                            <br>     N    amber99_39   0.29430     1  <br>    H1    amber99_17   0.16420     2  <br>
    H2    amber99_17   0.16420     3  <br>    H3    amber99_17   0.16420     4  <br>    CA    amber99_11  -0.01000     5  <br>   HA1    amber99_28   0.08950     6  <br>   HA2    amber99_28   0.08950     7  <br>     C    amber99_2    0.61630     8  <br>
     O    amber99_41  -0.57220     9  </div>