Respected fellow members I intends to use XPlOR-NIH to perform molecular dynamics-simulated annealing protocol in order to perform NMR-refinement of a metallopeptide with an unusual set of aminoacid. The forecefield parameters for the same were generated by using mcpb.py script of amber and the required .prmtop and inpcrd files were generated. Thereafter it was converted to xplor compatible psf files. However, on running the simulated annealing protocol many parameters eg bond length energy are still missing. According to the following link the amber force field can be used in Xplor http://ambermd.org/xplor-nih.html However, I am not sure how, It would be very helpful if please somebody can guide me through this.
Thank You with regards Rajbinder Kaur Virk -- *With regards* *Rajbinder Kaur Virk* *Research Scholar * *Department of Biophysics* *Panjab University * *Chandigarh-160014*
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