[gmx-users] new type atom

[nanyu101]

 Hi,
    And I hope some one can resolve my puzzle.I am looking forward to your response.
 But there are something wrong about new type atom in my model. This model is composed of polyester, polyphosphorus and calcium.You know that calcium connects the phosphorus and four water molecules just as below:
 [ PPI ]
  [ atoms ]
    OP1    OS  -0.888     1
     P1     P   2.398     1
    OP3    OP  -0.622     1
    OP4    OP  -0.888     1
    OP2    OS  -1.013     1
     P2     P   2.398     1
    OP5    OP  -0.888     1
    OP6    OP  -0.888     1
    Ca     CA   2.000     2
   OW1     OW  -0.360     3
   OW2     OW  -0.360     4
   OW3     OW  -0.360     5
   OW4     OW  -0.360     6
   HW1     HW   0.180     3
   HW2     HW   0.180     3
   HW3     HW   0.180     4
   HW4     HW   0.180     4
   HW5     HW   0.180     5
   HW6     HW   0.180     5
   HW7     HW   0.180     6
   HW8     HW   0.180     6
 [bonds]
   OP1    P1
    P1   OP3
    P1   OP4
    P1   OP2
   OP2    P2
    P2   OP5
    P2   OP6
   OW1   HW1
   OW1   HW2
   OW2   HW3
   OW2   HW4
   OW3   HW5
   OW3   HW6
   OW4   HW7
   OW4   HW8

 The atom type OP is the atom O connecting the calcium, so  I created a 
 new atom type in ffgmx.atp file.But everytime I run pdb2gmx, the 
 system told me that there is no OP in atp file.I have tried to copy 
 this atp file in current direction, but it's useless.Would you please 
 give me some advices?Thanks a lot.

 I am looking forward to your response.

 All you best,
 Xianhui 

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