[gmx-users] Regarding genconf

jani vinod genomejani at gmail.com
Fri Jun 4 07:24:16 CEST 2010


Hello,
I build a system solvated in water .
Then replicated the system using genconf. Now when I am running grompp i am
getting following warning
Warning: atom name 404 in PH7.top and replicate_systemB.gro does not match
(N - C1)
Warning: atom name 405 in PH7.top and replicate_systemB.gro does not match
(H1 - C2)
Warning: atom name 406 in PH7.top and replicate_systemB.gro does not match
(H2 - C3)
Warning: atom name 407 in PH7.top and replicate_systemB.gro does not match
(H3 - N4)
Warning: atom name 408 in PH7.top and replicate_systemB.gro does not match
(CA - C5)
Warning: atom name 409 in PH7.top and replicate_systemB.gro does not match
(CB - C6)
Warning: atom name 410 in PH7.top and replicate_systemB.gro does not match
(CG - O7)
Warning: atom name 411 in PH7.top and replicate_systemB.gro does not match
(OD1 - P8)
Warning: atom name 412 in PH7.top and replicate_systemB.gro does not match
(OD2 - O9)
Warning: atom name 413 in PH7.top and replicate_systemB.gro does not match
(C - O10)
Warning: atom name 414 in PH7.top and replicate_systemB.gro does not match
(O - O11)
Warning: atom name 415 in PH7.top and replicate_systemB.gro does not match
(N - C12)
Warning: atom name 416 in PH7.top and replicate_systemB.gro does not match
(H - C13)
Warning: atom name 417 in PH7.top and replicate_systemB.gro does not match
(CA - O14)
Warning: atom name 418 in PH7.top and replicate_systemB.gro does not match
(CB - C15)
Warning: atom name 419 in PH7.top and replicate_systemB.gro does not match
(C - O16)
Warning: atom name 420 in PH7.top and replicate_systemB.gro does not match
(O - C17)
Warning: atom name 421 in PH7.top and replicate_systemB.gro does not match
(N - C18)
Warning: atom name 422 in PH7.top and replicate_systemB.gro does not match
(H - C19)
Warning: atom name 423 in PH7.top and replicate_systemB.gro does not match
(CA - C20)

and when after ignoring the warning I try to run system my system get
distorted.


Thanks
vinod
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