7 Jun
2012
7 Jun
'12
8:53 p.m.
Hi Marek, On Jun 7, 2012, at 1:48 PM, Marek Maly wrote:
I also found (in actual alpha version) just possibility to save PRMTOP file but both input files: PRMTOP (ff parameters) and INPCRD (atom coordinates) are necessary to start simulation in Amber.
This doesn't solve the other issues, but I thought I should mention that Write Prmtop saves both prmtop and inpcrd using the filename you give it. Elaine