On 1/28/13 10:02 AM, shahid nayeem wrote:
Dear Users
I am interested in knowing only the water molecules which remains
bounded to the protein during MD. Using g_select I can make a
boundwater.ndx file which gives water molecules within a specified
distance from the protein but it gives
Hi Justin
If I use the boundwaters.ndx to write another .ndx file using 1 2
3 4 and so on over all snapshots then also I should get the common
water molecules in these snapshots. Am I right.
Shahid
On Mon, Jan 28, 2013 at 9:03 PM, Justin Lemkul jalem...@vt.edu wrote:
On 1/28/13 10:02 AM,
On 1/28/13 10:53 AM, shahid nayeem wrote:
Hi Justin
If I use the boundwaters.ndx to write another .ndx file using 1 2
3 4 and so on over all snapshots then also I should get the common
water molecules in these snapshots. Am I right.
Presumably. Probably faster to try it and see rather
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