Dear Ross,
I try your method but it is not working. Same error message and tleap did
not output inprcd and prmtop.
This is part of my pdb look like: my molecule and chcl3
ATOM 68 H67 VVA X 0 17.982 21.641 23.102 1.00 0.00
ATOM 69 C63 VVA X 0 19.415 20.826 21.746 1.00 0.00
ATOM 70 H64 VVA X 0 19.520 19.750 21.863 1.00 0.00
ATOM 71 C62 VVA X 0 20.331 21.738 21.328 1.00 0.00
ATOM 72 C70 VVA X 0 21.693 21.337 20.829 1.00 0.00
ATOM 73 O71 VVA X 0 22.082 20.172 20.841 1.00 0.00
ATOM 74 H1 CL3 X 1 46.627 15.204 32.669 1.00 0.00
ATOM 75 C1 CL3 X 1 45.822 15.836 32.889 1.00 0.00
ATOM 76 CL1 CL3 X 1 44.319 14.964 33.264 1.00 0.00
ATOM 77 CL2 CL3 X 1 46.394 16.873 34.254 1.00 0.00
ATOM 78 CL3 CL3 X 1 45.700 16.637 31.397 1.00 0.00
ATOM 79 H1 CL3 X 2 31.148 31.834 10.058 1.00 0.00
ATOM 80 C1 CL3 X 2 32.193 31.670 10.045 1.00 0.00
ATOM 81 CL1 CL3 X 2 32.437 30.655 11.471 1.00 0.00
ATOM 82 CL2 CL3 X 2 32.701 30.884 8.547 1.00 0.00
ATOM 83 CL3 CL3 X 2 33.095 33.052 10.167 1.00 0.00
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Received on Fri May 20 2005 - 03:53:01 PDT
