Dear Experts, I checked the error lincs page and from that what I ignored in my work are the two errors these are:
Warning: there are 0 atoms with zero occupancy and 1 atom with occupancy unequal to one (out of 1480 atoms).Check your pdb file Warning: masses will be determined based on residue and atom names,this can deviate from the real mass of the atom type.In case you use free energy of solvation predictions. Can I correct these errors? regards, Lal badshah SYED LAL BADSHAH M.Phil Scholar NCE in Physical Chemistry, University of Peshawar. NWFP,Pakistan. Cell # 03349060632. Send instant messages to your online friends http://uk.messenger.yahoo.com
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