Error Raised: No Input file specified

[suryavenkatsn]

Hi,
I am trying to run a suMD simulation of membrane protein system prepared using AMBER. I am getting the following error. Please help resolve this error. Let me know if more details required.

suMD simulation tries to Initialize..

Starting New suMD simulation

Parameters selected:
structure: sumd
ligand: resname UNK
main_chain: protein
ligand_chain: resname UNK
ligand_cm: resname UNK
resid: 25 26 29 30 33 34 36 81 84 85 88 89 92 151 154 155 158 162 180 183 184 187 188 191 300 304 307 308 309 334 335 337 338 345 407 438 439 442 446 449
randomize: no
Force Field: AMBER
n. device: 0
constrain: no
n_steps 150000
slope: 0.0
Maximum Failed: 17
Parameter file: sumd.prmtop

Error Raised: No Input file specified

Please give a valid input file "selection.dat" (look at /Examples/InputsuMD)

[99fromhome]

Hi, I do not see your .prmtop file, and the shown structure is not .pdb. According to my test, you mast have A.prmtop, A.pdb and A.xsc(produced by .conf file)