Hi All,<br><br>I meet a problem in run MD: from the display of VMD, there are some H-H bonds formed during the MD. All the bonds I wrote in .itp file are right, except these new unexpected H-H bonds. (I generate the system from a smaller system, EM is ok, when running NTV, the problem comes. ) Who can give some suggestions? Thanks in advances.
<br><br>PS: I have succeeded in simulating a samller system by using the same force-field. So I think the .itp file should be right.<br><br clear="all"><br>-- <br>Sincerely yours,<br>**********************************************
<br>Baofu Qiao, PhD<br>Frankfurt Institute for Advanced Studies<br>Max-von-Laue-Str. 1<br>60438 Frankfurt am Main, Germany TEL:+49-69-7984-7529<br>**********************************************