Dear Mark Hello. The force field I used is g43b1 from GROMOS96. I checked the g43b1.atp file and fond that the HC is defined there which corresponds to Hydrogen attached to the Carbon. But somehow in the pdb outcome this is not there. the output pdb file contains only H atoms corresponding to HN. Now I exactly don't know which type of atoms are defined there. Kindly let me know what should I do to bring HA into the scene. Best regards Nav On Aug 17, 2006, at 5:46 AM, Mark Abraham wrote:
******************************************* Navratna Vajpai Ph. D student in Prof. Grzesiek's laboratory Department of Structural Biology Biozentrum, University of Basel Klingelbergstrasse 70, CH-4056 Basel, Switzerland. Phone- +41 61 267 2080(O) +41 78 744 0810(M) |
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